Geometry & MOs

Info

ID:	433258
PubChem CID:	135173395
Reduced:	S2N4O4H28C29 (1)
Stoich.:	A2B4C4D28E29 (1)
Weight, g/mol:	528.165369
ΔH_f, kcal/mol:	-47.74
Dipole, Da:	8.77
IP(EA), eV:	-8.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-[3-(phenylcarbamothioylamino)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(=S)NC4=CC=CC=C4

DOS

IR

Vibrations