Geometry & MOs

Info

ID:	446912
PubChem CID:	135278747
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	481.090784
ΔH_f, kcal/mol:	-72.95
Dipole, Da:	5.21
IP(EA), eV:	-8.55(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenoxy)-3-(7-hydroxy-6-methylpyrrolo[2,3-b]pyridin-4-yl)phenyl]sulfonylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CN=C2N1O)C3=C(C=CC(=C3)S(=O)(=O)C)OC4CCCCC4

DOS

IR

Vibrations