Geometry & MOs

Info

ID:	63427
PubChem CID:	26758319
Reduced:	N3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	460.189275
ΔH_f, kcal/mol:	-238.02
Dipole, Da:	2.65
IP(EA), eV:	-9.91(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylsulfamoyl)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations