Geometry & MOs

Info

ID:	213130
PubChem CID:	81062950
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	4.83
IP(EA), eV:	-9.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC(=C(C=C1)C)CCl

DOS

IR

Vibrations