Geometry & MOs

Info

ID:	155307
PubChem CID:	56352893
Reduced:	SN2O6C24H30 (1)
Stoich.:	AB2C6D24E30 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-208.51
Dipole, Da:	8.48
IP(EA), eV:	-8.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCCO2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations