Geometry & MOs

Info

ID:	36640
PubChem CID:	8010234
Reduced:	SN2O5H14C17 (1)
Stoich.:	AB2C5D14E17 (1)
Weight, g/mol:	405.055005
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	5.48
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

DOS

IR

Vibrations