Geometry & MOs

Info

ID:	63364
PubChem CID:	26758175
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	457.178376
ΔH_f, kcal/mol:	-159.87
Dipole, Da:	7.8
IP(EA), eV:	-9.85(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC=C)OC(=O)CN1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations