Geometry & MOs

Info

ID:	244029
PubChem CID:	99309419
Reduced:	NOC7H7 (4)
Stoich.:	ABC7D7 (4)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	4.27
IP(EA), eV:	-9.01(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-4-(prop-2-ynylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4CCN(CC4)C(=O)CC5=CC(=CC=C5)OC

DOS

IR

Vibrations