Geometry & MOs

Info

ID:	314995
PubChem CID:	126624144
Reduced:	NSO6C27H35 (1)
Stoich.:	ABC6D27E35 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-253.75
Dipole, Da:	2.46
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)CCNC(=O)OCC2=CC=CC=C2)[C@H](C)C3CCC4(CC3)OCCO4

DOS

IR

Vibrations