Geometry & MOs

Info

ID:	199438
PubChem CID:	79246032
Reduced:	SF2N2O5C11H14 (1)
Stoich.:	AB2C2D5E11F14 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-215.22
Dipole, Da:	6.48
IP(EA), eV:	-10.31(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cinnolin-4-ylamino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NS(=O)(=O)C1=C(C=C(C(=C1)[N+](=O)[O-])F)F

DOS

IR

Vibrations