Geometry & MOs

Info

ID:	174060
PubChem CID:	75717525
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	459.146407
ΔH_f, kcal/mol:	-77.32
Dipole, Da:	1.57
IP(EA), eV:	-9.13(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-N-[2-[(4-methylphenyl)sulfonylmethylamino]-1-(4-nitrophenyl)-2-oxoethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)NC(C)(C)C)N(C)C(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations