Geometry & MOs

Info

ID:	433271
PubChem CID:	135173408
Reduced:	S2N3O7C29H29 (1)
Stoich.:	A2B3C7D29E29 (1)
Weight, g/mol:	531.165034
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	4.7
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-[(3-methoxyphenyl)sulfanylamino]anilino]sulfanylphenyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CC(=C(C=C2)OC)S(=O)(=O)NC3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)OC

DOS

IR

Vibrations