Geometry & MOs

Info

ID:	62937
PubChem CID:	26737694
Reduced:	SN3O7C23H23 (1)
Stoich.:	AB3C7D23E23 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-213.88
Dipole, Da:	6.78
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=S)N(CC(=O)OC)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations