Geometry & MOs

Info

ID:	375309
PubChem CID:	131499904
Reduced:	OSN4C9H14 (1)
Stoich.:	ABC4D9E14 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	6.06
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dihydrothieno[2,3-d]imidazol-3-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC)NC(=O)C(C)N

DOS

IR

Vibrations