Geometry & MOs

Info

ID:	43318
PubChem CID:	10321116
Reduced:	SN4O4H14C23 (1)
Stoich.:	AB4C4D14E23 (1)
Weight, g/mol:	442.162768
ΔH_f, kcal/mol:	64.78
Dipole, Da:	12.08
IP(EA), eV:	-8.55(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)cyclopent-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

C1=C/C(=C\2/C=C(C(=C(N2)NC(=O)C3=CC=CS3)C#N)C4=CC(=CC=C4)[N+](=O)[O-])/C(=O)C=C1

DOS

IR

Vibrations