Geometry & MOs

Info

ID:	437816
PubChem CID:	135227102
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	477.097012
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	5.8
IP(EA), eV:	-8.2(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-[5-(methylsulfonimidoyl)-2-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)COC2=C(C=C(C=C2)S(=N)(=O)C)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations