Geometry & MOs

Info

ID:	51939
PubChem CID:	12014709
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	392.10823
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	7.57
IP(EA), eV:	-8.4(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/C(=C\C2=CC=C(C=C2)N(C)C)/C(=O)C3=CC=CC=C3

DOS

IR

Vibrations