Geometry & MOs

Info

ID:	89380
PubChem CID:	49961311
Reduced:	S2O3N4C30H30 (1)
Stoich.:	A2B3C4D30E30 (1)
Weight, g/mol:	423.107519
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	6.42
IP(EA), eV:	-7.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[methyl-[2-(2-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations