Geometry & MOs

Info

ID:	67501
PubChem CID:	46506592
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	342.022977
ΔH_f, kcal/mol:	-67.89
Dipole, Da:	2.35
IP(EA), eV:	-8.76(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)NC2=S)C

DOS

IR

Vibrations