Geometry & MOs

Info

ID:	291977
PubChem CID:	113999812
Reduced:	SN3O3C11H17 (1)
Stoich.:	AB3C3D11E17 (1)
Weight, g/mol:	291.04444
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	8.12
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])SC(C)C(C)O

DOS

IR

Vibrations