Geometry & MOs

Info

ID:	437806
PubChem CID:	135227092
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	452.224597
ΔH_f, kcal/mol:	5.61
Dipole, Da:	5.57
IP(EA), eV:	-8.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(cyclopropylsulfonimidoyl)-2-[(4,4-dimethylcyclohexyl)amino]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)S(=N)(=O)C4CC4)NC5CCC6(CC5)CC6)C

DOS

IR

Vibrations