Geometry & MOs

Info

ID:	132036
PubChem CID:	51296307
Reduced:	FNOSC19H20 (1)
Stoich.:	ABCDE19F20 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	2.6
IP(EA), eV:	-9.1(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxoprop-1-enyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)C3CC3C4=CC=C(C=C4)F)SC=C2

DOS

IR

Vibrations