Geometry & MOs

Info

ID:	433261
PubChem CID:	135173398
Reduced:	SN4O5H28C29 (1)
Stoich.:	AB4C5D28E29 (1)
Weight, g/mol:	512.188212
ΔH_f, kcal/mol:	-111.04
Dipole, Da:	11.91
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-(phenylcarbamoylamino)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)NC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations