Geometry & MOs

Info

ID:	271501
PubChem CID:	103681162
Reduced:	ClIOSN2H12C13 (1)
Stoich.:	ABCDE2F12G13 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	17.41
Dipole, Da:	2.63
IP(EA), eV:	-9.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCC(C1=NC=CS1)NC(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations