Geometry & MOs

Info

ID:	195316
PubChem CID:	78672341
Reduced:	OSN3C23H28 (1)
Stoich.:	ABC3D23E28 (1)
Weight, g/mol:	384.075548
ΔH_f, kcal/mol:	42.65
Dipole, Da:	5.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.358419
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-phenylethenylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NCC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations