Geometry & MOs

Info

ID:	324416
PubChem CID:	126677631
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-201.29
Dipole, Da:	6.16
IP(EA), eV:	-9.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-3-hydroxy-7-sulfanylhept-4-enoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)CC(/C=C/CCS)O

DOS

IR

Vibrations