Geometry & MOs

Info

ID:	324431
PubChem CID:	126677662
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-154.5
Dipole, Da:	2.17
IP(EA), eV:	-9.03(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations