Geometry & MOs

Info

ID:	61523
PubChem CID:	26710183
Reduced:	ClON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	36.99
Dipole, Da:	5.1
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=NN2CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations