Geometry & MOs

Info

ID:	373171
PubChem CID:	131311038
Reduced:	ClNSF3H5O5C7 (1)
Stoich.:	ABCD3E5F5G7 (1)
Weight, g/mol:	223.070539
ΔH_f, kcal/mol:	-352.97
Dipole, Da:	7.3
IP(EA), eV:	-10.76(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(2-methyl-4-nitroimidazol-1-yl)-4-oxobutanenitrile

Drug info:

PubChemData

Smile

COC1=C(C(=O)NC(=C1)OC(F)(F)F)S(=O)(=O)Cl

DOS

IR

Vibrations