Geometry & MOs

Info

ID:	393644
PubChem CID:	135021365
Reduced:	N2C17H22 (2)
Stoich.:	A2B17C22 (2)
Weight, g/mol:	565.091506
ΔH_f, kcal/mol:	71.19
Dipole, Da:	4.85
IP(EA), eV:	-8.08(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-N-[(E,2S)-1-(benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)but-3-en-2-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(=C[C@H]1CC(N2C1=C(C3=CC=CC=C32)CCN(C)C)(C)/C=C/C4=C(C5=CC=CC=C5N4)CCN(C)C)C

DOS

IR

Vibrations