Geometry & MOs

Info

ID:	280700
PubChem CID:	103850821
Reduced:	S2N3O5C11H19 (1)
Stoich.:	A2B3C5D11E19 (1)
Weight, g/mol:	286.12772
ΔH_f, kcal/mol:	-198.4
Dipole, Da:	3.58
IP(EA), eV:	-9.34(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-nitroimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CC1=CSC(=N1)NS(=O)(=O)C

DOS

IR

Vibrations