Geometry & MOs

Info

ID:

133009

PubChem CID:

51461107

Reduced:

NO2H7C8 (3)

Stoich.:

AB2C7D8 (3)

Weight, g/mol:

459.991016

ΔHf, kcal/mol:

-97.78

Dipole, Da:

7.92

IP(EA), eV:

 -8.24(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(4-chlorophenyl)-[(2S)-2-(2,4-dichlorophenyl)-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4C=CC5=C(N4[C@@H]([C@@H]3C2=O)C(=O)C)C=CC(=C5)OC

DOS

IR

Vibrations