Geometry & MOs

Info

ID:	437691
PubChem CID:	135226856
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	368.155849
ΔH_f, kcal/mol:	-31.72
Dipole, Da:	5.21
IP(EA), eV:	-8.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylmethoxy)-5-propan-2-ylsulfanylphenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CC(C)S(=N)(=O)C1=CC(=C(C=C1)OCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations