Geometry & MOs

Info

ID:	90060
PubChem CID:	49966084
Reduced:	SN2O2F3H19C23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	374.126441
ΔH_f, kcal/mol:	-132.91
Dipole, Da:	7.61
IP(EA), eV:	-8.86(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C(F)(F)F)C#N

DOS

IR

Vibrations