Geometry & MOs

Info

ID:	320339
PubChem CID:	126659573
Reduced:	N2S2O3C30H30 (1)
Stoich.:	A2B2C3D30E30 (1)
Weight, g/mol:	426.094662
ΔH_f, kcal/mol:	6.38
Dipole, Da:	4.44
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methylpyrrolo[2,3-b]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC(C2=C(ON=C2C)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)NSC)O

DOS

IR

Vibrations