Geometry & MOs

Info

ID:	271670
PubChem CID:	103687827
Reduced:	OSN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	48.8
Dipole, Da:	9.51
IP(EA), eV:	-9.08(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-2-ylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N=N2)C#N)NCCSCCCO

DOS

IR

Vibrations