Geometry & MOs

Info

ID:	437835
PubChem CID:	135227121
Reduced:	FS2N3O4H20C22 (1)
Stoich.:	AB2C3D4E20F22 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	3.69
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(cyclopropylmethoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfonimidoyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C(=O)N(C=C3C4=C(C=CC(=C4)S(=N)(=O)C)F)C

DOS

IR

Vibrations