Geometry & MOs

Info

ID:	391026
PubChem CID:	135002301
Reduced:	NO5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	532.275964
ΔH_f, kcal/mol:	-208.42
Dipole, Da:	3.81
IP(EA), eV:	-8.96(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4,7-dimethyl-2-(4-methylphenyl)sulfonyl-N-(2,4,4-trimethylpentan-2-yl)-3H-isoindol-1-imine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=CC(=CC=C1)OC)NC(=O)C)C(=O)C

DOS

IR

Vibrations