Geometry & MOs

Info

ID:	324421
PubChem CID:	126677647
Reduced:	SN2O7C16H20 (1)
Stoich.:	AB2C7D16E20 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-211.86
Dipole, Da:	8.01
IP(EA), eV:	-9.46(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)[C@H](CC1=CC(=C(C=C1)O)OOC(=O)[C@H](CC(=O)S)NC(=O)C)N

DOS

IR

Vibrations