Geometry & MOs

Info

ID:	208836
PubChem CID:	80591893
Reduced:	OSN2F4H12C13 (1)
Stoich.:	ABC2D4E12F13 (1)
Weight, g/mol:	254.145285
ΔH_f, kcal/mol:	-212.41
Dipole, Da:	5.85
IP(EA), eV:	-9.34(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-carbamothioyl-N-(2,3-dimethylcyclohexyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C(=S)N)C(=O)NC2=CC(=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations