Geometry & MOs

Info

ID:	229905
PubChem CID:	87569486
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	618.287592
ΔH_f, kcal/mol:	-49.78
Dipole, Da:	1.45
IP(EA), eV:	-9.12(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-2-yl]-4-[phenoxy(phenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C=COCCCCC1=CC=CC2=NC3=CC=CC=C3C(=C21)C(=O)O

DOS

IR

Vibrations