Geometry & MOs

Info

ID:	276223
PubChem CID:	103821359
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	4.97
IP(EA), eV:	-9.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-cycloheptylacetyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)NCCCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations