Geometry & MOs

Info

ID:	165560
PubChem CID:	74566405
Reduced:	NCl2O4H19C25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	464.182161
ΔH_f, kcal/mol:	-71.08
Dipole, Da:	4.61
IP(EA), eV:	-8.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-[1-(2-morpholin-4-ylethyl)-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(O2)C3=CC(=CC(=C3)Cl)Cl)C4=CC=C(O4)CO

DOS

IR

Vibrations