Geometry & MOs

Info

ID:	324417
PubChem CID:	126677632
Reduced:	NSO4C13H23 (1)
Stoich.:	ABC4D13E23 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-198.26
Dipole, Da:	6.36
IP(EA), eV:	-9.21(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(E)-3-hydroxy-7-sulfanylhept-4-enoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)O)NC(=O)CC(/C=C/CCS)O

DOS

IR

Vibrations