Geometry & MOs

Info

ID:	173732
PubChem CID:	75675723
Reduced:	N2S2O4H13C18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	467.198225
ΔH_f, kcal/mol:	42.14
Dipole, Da:	7.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756265
Charge, e:	-1

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=NC(=S)S3)[O-]

DOS

IR

Vibrations