Geometry & MOs

Info

ID:	62422
PubChem CID:	26719701
Reduced:	NSO2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	440.033062
ΔH_f, kcal/mol:	-3.56
Dipole, Da:	5.39
IP(EA), eV:	-8.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=C(C=CS2)C3=CC=CC=C3

DOS

IR

Vibrations