Geometry & MOs

Info

ID:	437773
PubChem CID:	135227002
Reduced:	FS2N3O4C24H24 (1)
Stoich.:	AB2C3D4E24F24 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-110.24
Dipole, Da:	7.97
IP(EA), eV:	-8.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-hydroxycyclohexyl)oxy-5-(propan-2-ylsulfonimidoyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

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(C)C)F)C

DOS

IR

Vibrations