Geometry & MOs

Info

ID:	324408
PubChem CID:	126677609
Reduced:	SO3C11H20 (1)
Stoich.:	AB3C11D20 (1)
Weight, g/mol:	305.111936
ΔH_f, kcal/mol:	-160.08
Dipole, Da:	2.89
IP(EA), eV:	-9.13(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methylsulfanyl-2-[[(E)-7-sulfanylhept-4-enoyl]amino]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations