Geometry & MOs

Info

ID:	314996
PubChem CID:	126624148
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	461.153991
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	6.72
IP(EA), eV:	-8.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[ethyl-(4-oxocyclohexyl)amino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CN2CCC3=C(C2=O)C(=C(S3)N(C)C4CCC(=O)CC4)C)C

DOS

IR

Vibrations