Geometry & MOs

Info

ID:	177944
PubChem CID:	76255154
Reduced:	ClSN5O5C21H23 (1)
Stoich.:	ABC5D5E21F23 (1)
Weight, g/mol:	454.138485
ΔH_f, kcal/mol:	-151.54
Dipole, Da:	9.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.029229
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C=C(C=NC2=[N+](C1=O)C)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations