Geometry & MOs

Info

ID:	76326
PubChem CID:	48424784
Reduced:	ClNSO2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	363.179421
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	3.52
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C1=CC=C(C=C1)Cl)C2=CSC=C2)OCC3CC3

DOS

IR

Vibrations