Geometry & MOs

Info

ID:	202150
PubChem CID:	79636469
Reduced:	SF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	278.091141
ΔH_f, kcal/mol:	-59.99
Dipole, Da:	2.86
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-3-thiophen-2-ylsulfanylcyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCNC1(CCCC(C1)SC2=CC(=C(C=C2)F)F)C#N

DOS

IR

Vibrations