Geometry & MOs

Info

ID:	277443
PubChem CID:	103828568
Reduced:	SF2N2O2C11H14 (1)
Stoich.:	AB2C2D2E11F14 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-86.22
Dipole, Da:	7.06
IP(EA), eV:	-9.02(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(2,6-difluoro-4-nitroanilino)ethanol

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=C(C=C1F)[N+](=O)[O-])F)SC

DOS

IR

Vibrations