Geometry & MOs

Info

ID:	415660
PubChem CID:	135088659
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	307.141973
ΔH_f, kcal/mol:	61.09
Dipole, Da:	2.95
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(2-propoxybenzoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C1C(=O)NCCC2=CSC=N2)C3=CC=CC=C3

DOS

IR

Vibrations