Geometry & MOs

Info

ID:	437785
PubChem CID:	135227069
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	448.193297
ΔH_f, kcal/mol:	-115.33
Dipole, Da:	3.71
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6-azaspiro[2.5]octan-6-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfinyl-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2CCC(CC2)(C)O)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations