Geometry & MOs

Info

ID:	280511
PubChem CID:	103849666
Reduced:	N2O4C9H16 (1)
Stoich.:	A2B4C9D16 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-183.35
Dipole, Da:	3.69
IP(EA), eV:	-9.95(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylsulfonylethyl)imidazole-2-carbonitrile

Drug info:

PubChemData

Smile

COCC(CNC(=O)[C@@H]1CCC(=O)N1)O

DOS

IR

Vibrations