Geometry & MOs

Info

ID:	274795
PubChem CID:	103811722
Reduced:	OSN2F3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-191.97
Dipole, Da:	6.36
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(thiolan-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(C=CC(=C2)C(F)(F)F)N

DOS

IR

Vibrations