Geometry & MOs

Info

ID:	195114
PubChem CID:	78636613
Reduced:	SCl2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	5.28
IP(EA), eV:	-9.52(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropylethylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)Cl)Cl)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations