Geometry & MOs

Info

ID:	444030
PubChem CID:	135261072
Reduced:	FO3N6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	493.167142
ΔH_f, kcal/mol:	-95.97
Dipole, Da:	6.11
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)C(=O)N(C)C)N)F

DOS

IR

Vibrations