Geometry & MOs

Info

ID:	129830
PubChem CID:	51073996
Reduced:	NSO2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	329.083413
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	3.51
IP(EA), eV:	-9.19(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-3H-furo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)CCC3=CC=CO3)SC=C2

DOS

IR

Vibrations