Geometry & MOs

Info

ID:	165677
PubChem CID:	74583078
Reduced:	ClOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	347.965767
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	0.71
IP(EA), eV:	-8.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C3C(S2)NC(NC3=O)CCl)C4=CC=CC=C41

DOS

IR

Vibrations