Geometry & MOs

Info

ID:	155779
PubChem CID:	56367528
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-170.01
Dipole, Da:	6.35
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC=CC=C3OCC(=O)N

DOS

IR

Vibrations