Geometry & MOs

Info

ID:	166053
PubChem CID:	74630930
Reduced:	ClSN3O5C17H22 (1)
Stoich.:	ABC3D5E17F22 (1)
Weight, g/mol:	381.147727
ΔH_f, kcal/mol:	-154.92
Dipole, Da:	5.48
IP(EA), eV:	-9.07(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-benzylanilino)methyl]-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(C)C(=O)N(C)CC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations