Geometry & MOs

Info

ID:	67032
PubChem CID:	46505733
Reduced:	NOS2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	477.96022
ΔH_f, kcal/mol:	29.79
Dipole, Da:	2.93
IP(EA), eV:	-8.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5E)-2,5-bis[(3-bromo-4-methoxyphenyl)methylidene]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(N1C/C(=C/C2=CC=C(C=C2)SC)/C(=O)/C(=C\C3=CC=C(C=C3)SC)/C1)C

DOS

IR

Vibrations