Geometry & MOs

Info

ID:	429983
PubChem CID:	135170040
Reduced:	N2O2S2C19H24 (1)
Stoich.:	A2B2C2D19E24 (1)
Weight, g/mol:	290.110534
ΔH_f, kcal/mol:	-17.19
Dipole, Da:	8.12
IP(EA), eV:	-7.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxyethyl)-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)cyclohexene

Drug info:

PubChemData

Smile

CCC(=C1C=CC(=NC2=C(C=C(C=C2)N(C)C)SS(=O)(=O)C)C=C1)C

DOS

IR

Vibrations