Geometry & MOs

Info

ID:	67946
PubChem CID:	46507487
Reduced:	FSN2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	5.56
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-([1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations