Geometry & MOs

Info

ID:	206161
PubChem CID:	80216277
Reduced:	BrO2F4H5C12 (1)
Stoich.:	AB2C4D5E12 (1)
Weight, g/mol:	312.150764
ΔH_f, kcal/mol:	-211.48
Dipole, Da:	4.0
IP(EA), eV:	-9.97(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(4,4-dimethylcyclohexyl)-4-hydroxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)C(=O)C2=CC=C(O2)Br)F

DOS

IR

Vibrations