Geometry & MOs

Info

ID:	307037
PubChem CID:	125264723
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	392.126674
ΔH_f, kcal/mol:	-182.6
Dipole, Da:	3.94
IP(EA), eV:	-9.42(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]-3H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)NC(=O)[C@@H]1C2=CC=CC=C2C(=O)N(C13CCCCC3)C4CCCCC4

DOS

IR

Vibrations