Geometry & MOs

Info

ID:	166662
PubChem CID:	74723094
Reduced:	ClN2O5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	473.103488
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	6.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796720
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=C(O2)C(=CC=C3)OC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations