Geometry & MOs

Info

ID:	245261
PubChem CID:	99443228
Reduced:	BrSF2N2O4H15C20 (1)
Stoich.:	ABC2D2E4F15G20 (1)
Weight, g/mol:	370.172642
ΔH_f, kcal/mol:	-179.83
Dipole, Da:	4.37
IP(EA), eV:	-9.35(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[(1S,2R)-2-methylcyclohexyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)/C=C/2\C(=O)N(C(=O)S2)CCNC(=O)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations