Geometry & MOs

Info

ID:	309171
PubChem CID:	126539450
Reduced:	N6O11C42H66 (1)
Stoich.:	A6B11C42D66 (1)
Weight, g/mol:	839.414744
ΔH_f, kcal/mol:	-394.87
Dipole, Da:	7.58
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[bis[4-[2-methyl-N-(2-methylpropyl)anilino]phenyl]methylidene]-3-cyano-4-phenylthiophen-2-ylidene]-diphenylazanium

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

CC(C)C[C@@H](C(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)NNCC(=O)NCCOCCOCCNC(=O)OC2CC[C@]3(CO3)C(C2OC)C4([C@H](O4)CC=C(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

CC(C)C[C@@H](C(=O)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN)NNCC(=O)NCCOCCOCCNC(=O)OC2CC[C@]3(CO3)C(C2OC)C4([C@H](O4)CC=C(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):