Geometry & MOs

Info

ID:	437865
PubChem CID:	135227204
Reduced:	SN3O4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	409.218784
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	3.16
IP(EA), eV:	-8.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=N)(=O)C1=CC(=C(C=C1)OC2CCOC2)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations