Geometry & MOs

Info

ID:	165602
PubChem CID:	74574372
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	5.19
IP(EA), eV:	-8.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-5-phenyl-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2C(S1)NC(NC2=O)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations