Geometry & MOs

Info

ID:	49578
PubChem CID:	11533301
Reduced:	OF3N7H22C25 (1)
Stoich.:	AB3C7D22E25 (1)
Weight, g/mol:	493.140653
ΔH_f, kcal/mol:	-55.06
Dipole, Da:	5.22
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3,4,5-trimethoxyphenyl)-N-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]sulfonylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC3=NC=CN3C4=NC(=NC=C4)NC5CC5

DOS

IR

Vibrations