Geometry & MOs

Info

ID:	90050
PubChem CID:	49965939
Reduced:	N2S2O4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	378.101369
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	4.35
IP(EA), eV:	-8.94(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethylsulfanyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations