Geometry & MOs

Info

ID:	267681
PubChem CID:	103584595
Reduced:	NF2S2O4H9C12 (1)
Stoich.:	AB2C2D4E9F12 (1)
Weight, g/mol:	327.00703
ΔH_f, kcal/mol:	-199.56
Dipole, Da:	6.88
IP(EA), eV:	-8.9(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(2,5-difluoro-4-methylanilino)methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NS(=O)(=O)C2=C(SC=C2)C(=O)O)F

DOS

IR

Vibrations