Geometry & MOs

Info

ID:	49307
PubChem CID:	11532773
Reduced:	ClO2N3C25H54 (1)
Stoich.:	AB2C3D25E54 (1)
Weight, g/mol:	464.081776
ΔH_f, kcal/mol:	-213.24
Dipole, Da:	4.26
IP(EA), eV:	-9.17(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-5-methylsulfonylphenyl]-[3-(trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNCCC(=O)NCCOCCN.Cl

DOS

IR

Vibrations