Geometry & MOs

Info

ID:	389313
PubChem CID:	134992188
Reduced:	NOPC40H48 (1)
Stoich.:	ABCD40E48 (1)
Weight, g/mol:	636.038281
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	4.21
IP(EA), eV:	-8.67(0.11)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

copper;copper;(2R)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenylacetic acid;(2S)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenylacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)C2(C[C@H](N(C2)C(=O)C(C)(C)C)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=C(C=C5C)C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC(=C(C(=C1)C)C2(C[C@H](N(C2)C(=O)C(C)(C)C)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=C(C=C5C)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):