Geometry & MOs

Info

ID:	283094
PubChem CID:	103957920
Reduced:	NO5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	302.104876
ΔH_f, kcal/mol:	-234.95
Dipole, Da:	4.23
IP(EA), eV:	-9.77(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(CC(=O)NCC(C(=O)OC)O)COC

DOS

IR

Vibrations