Geometry & MOs

Info

ID:	324409
PubChem CID:	126677610
Reduced:	NS2O3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	321.106851
ΔH_f, kcal/mol:	-140.61
Dipole, Da:	4.23
IP(EA), eV:	-8.62(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations