Geometry & MOs

Info

ID:	437821
PubChem CID:	135227107
Reduced:	OS4C19H34 (1)
Stoich.:	AB4C19D34 (1)
Weight, g/mol:	446.091198
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	4.87
IP(EA), eV:	-8.35(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[5-methylsulfanyl-2-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(SC1)CCC2CSC(SC2)CCC3COC(SC3)C

DOS

IR

Vibrations