Geometry & MOs

Info

ID:	304582
PubChem CID:	124756344
Reduced:	O3N4C11H16 (1)
Stoich.:	A3B4C11D16 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	3.6
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-methyl-4-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCO[C@H](C1)CNC(=O)C2=CN=CN2

DOS

IR

Vibrations