Geometry & MOs

Info

ID:	433293
PubChem CID:	135173430
Reduced:	SN5O5C30H31 (1)
Stoich.:	AB5C5D30E31 (1)
Weight, g/mol:	541.214761
ΔH_f, kcal/mol:	-104.95
Dipole, Da:	5.54
IP(EA), eV:	-8.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=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