Geometry & MOs

Info

ID:	34842
PubChem CID:	7978995
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	361.091869
ΔH_f, kcal/mol:	-57.61
Dipole, Da:	4.93
IP(EA), eV:	-8.83(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]thiourea

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations