Geometry & MOs

Info

ID:	437744
PubChem CID:	135226973
Reduced:	OSN3C25H29 (1)
Stoich.:	ABC3D25E29 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	29.1
Dipole, Da:	3.42
IP(EA), eV:	-8.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethylsulfanyl-2-pyridin-2-yloxyphenyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)SC4CC4)NC5CCC6(CC5)CC6

DOS

IR

Vibrations