Geometry & MOs

Info

ID:	277459
PubChem CID:	103828699
Reduced:	SF2N2O2C11H14 (1)
Stoich.:	AB2C2D2E11F14 (1)
Weight, g/mol:	300.128549
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	8.49
IP(EA), eV:	-9.03(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2,6-difluoro-4-nitroanilino)methyl]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=C1F)[N+](=O)[O-])F)SC

DOS

IR

Vibrations