Geometry & MOs

Info

ID:	433283
PubChem CID:	135173420
Reduced:	SN5O5C30H31 (1)
Stoich.:	AB5C5D30E31 (1)
Weight, g/mol:	541.214761
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	8.52
IP(EA), eV:	-7.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-[3-[[4-(dimethylamino)phenyl]carbamoylamino]anilino]sulfanyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)NCC4=CC=CC=C4)OC

DOS

IR

Vibrations