Geometry & MOs

Info

ID:	433254
PubChem CID:	135173391
Reduced:	SN3O5H27C29 (1)
Stoich.:	AB3C5D27E29 (1)
Weight, g/mol:	497.177313
ΔH_f, kcal/mol:	-99.42
Dipole, Da:	11.85
IP(EA), eV:	-8.75(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-benzamidoanilino)sulfanyl-4-methoxyphenyl]-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)C4=CC=CC=C4

DOS

IR

Vibrations