Geometry & MOs

Info

ID:	315017
PubChem CID:	126624183
Reduced:	NSO4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	470.271548
ΔH_f, kcal/mol:	-195.1
Dipole, Da:	1.86
IP(EA), eV:	-9.02(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)CCCN)[C@H](C)C2CCC3(CC2)OCCO3

DOS

IR

Vibrations