Geometry & MOs

Info

ID:	408123
PubChem CID:	135080880
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-83.11
Dipole, Da:	3.39
IP(EA), eV:	-10.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(2-propan-2-ylimidazol-1-yl)-1,4-thiazin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@@H](C=O)[C@H](C[N+](=O)[O-])C(C)(C)C

DOS

IR

Vibrations