Geometry & MOs

Info

ID:	324415
PubChem CID:	126677630
Reduced:	NSO4C14H25 (1)
Stoich.:	ABC4D14E25 (1)
Weight, g/mol:	289.134779
ΔH_f, kcal/mol:	-200.54
Dipole, Da:	1.62
IP(EA), eV:	-9.24(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations