Geometry & MOs

Info

ID:	437670
PubChem CID:	135226777
Reduced:	SO3C15H26 (1)
Stoich.:	AB3C15D26 (1)
Weight, g/mol:	578.202148
ΔH_f, kcal/mol:	-151.94
Dipole, Da:	2.67
IP(EA), eV:	-7.94(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1-(4-methylphenyl)sulfonyl-4-[5-(methylsulfonimidoyl)-2-(spiro[2.5]octan-6-ylamino)phenyl]pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CCCC1(CCC(CC1SC)OC)OC(=O)C(=C)C

DOS

IR

Vibrations