Geometry & MOs

Info

ID:	166755
PubChem CID:	74729532
Reduced:	ClOSN4C18H24 (1)
Stoich.:	ABCD4E18F24 (1)
Weight, g/mol:	503.114052
ΔH_f, kcal/mol:	20.59
Dipole, Da:	21.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805954
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)[NH+]2CC3C(NC2)N(C(=S)NC3=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations