Geometry & MOs

Info

ID:	305202
PubChem CID:	124767521
Reduced:	NO8C32H37 (1)
Stoich.:	AB8C32D37 (1)
Weight, g/mol:	582.251858
ΔH_f, kcal/mol:	-271.53
Dipole, Da:	12.06
IP(EA), eV:	-8.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,7R,11S,12R,16S)-5,14-bis(2,4-dimethylphenyl)-9-phenyl-5,14-diazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone

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=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC[C@H]5CCCO5

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=C([C@H](C2=C(N1)C[C@@H](CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC[C@H]5CCCO5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):