Geometry & MOs

Info

ID:	433573
PubChem CID:	135173713
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	468.133063
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	5.23
IP(EA), eV:	-9.54(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1-methylsulfinyl-3,4-dihydro-2H-pyridin-4-yl)methoxy]-2-[[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methyl]pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(N(C2)C3CCC(=O)NC3=O)O

DOS

IR

Vibrations