Geometry & MOs

Info

ID:	193120
PubChem CID:	78346813
Reduced:	N2O2H8C9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	442.030954
ΔH_f, kcal/mol:	-4.59
Dipole, Da:	3.01
IP(EA), eV:	-8.5(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(2,3-dichlorophenyl)furan-2-yl]ethenyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C=NNC(=O)C2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations