Geometry & MOs

Info

ID:	437765
PubChem CID:	135226994
Reduced:	F2O2N3H17C21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	403.00532
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	1.72
IP(EA), eV:	-8.37(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)CN)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations