Geometry & MOs

Info

ID:	205952
PubChem CID:	80182395
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	284.155849
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	5.7
IP(EA), eV:	-8.49(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methyloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCO1)C(=O)NC2=CC=C(C=C2)C(=S)N

DOS

IR

Vibrations