Geometry & MOs

Info

ID:	437737
PubChem CID:	135226966
Reduced:	SF2N3O3H23C24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-115.18
Dipole, Da:	6.33
IP(EA), eV:	-8.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C)(=O)CC

DOS

IR

Vibrations