Geometry & MOs

Info

ID:	277446
PubChem CID:	103828585
Reduced:	SF2O2N3H9C11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	294.081599
ΔH_f, kcal/mol:	-39.61
Dipole, Da:	6.17
IP(EA), eV:	-9.37(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2,6-difluoro-4-nitroanilino)methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations