Geometry & MOs

Info

ID:	346566
PubChem CID:	127271070
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-57.03
Dipole, Da:	7.96
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)NC3CCC(CC3)C(=O)N4CCSCC4)NN=C2

DOS

IR

Vibrations