Geometry & MOs

Info

ID:	166075
PubChem CID:	74634943
Reduced:	N3O4C9H11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	448.086458
ΔH_f, kcal/mol:	-119.75
Dipole, Da:	6.6
IP(EA), eV:	-9.97(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-1-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=O)C(C=N2)C(=O)O

DOS

IR

Vibrations