Geometry & MOs

Info

ID:	403948
PubChem CID:	135063144
Reduced:	H20C21 (1)
Stoich.:	A20B21 (1)
Weight, g/mol:	440.144616
ΔH_f, kcal/mol:	63.95
Dipole, Da:	0.4
IP(EA), eV:	-8.42(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5E)-3-(benzenesulfonyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopenten-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CCC2(C1=CC3=C2C=CC(=C3)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations