Geometry & MOs

Info

ID:	437766
PubChem CID:	135226995
Reduced:	BrNSF2O2C16H16 (1)
Stoich.:	ABCD2E2F16G16 (1)
Weight, g/mol:	418.01622
ΔH_f, kcal/mol:	-112.04
Dipole, Da:	1.2
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-bromo-4-(4,4-difluorocyclohexyl)oxyphenyl]sulfonimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1OC2=C(C=C(C=C2)S(=O)C3(CC3)C#N)Br)(F)F

DOS

IR

Vibrations