Geometry & MOs

Info

ID:	39624
PubChem CID:	8141679
Reduced:	ClN2S2O3H15C17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-29.0
Dipole, Da:	7.93
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(S3)Cl)OC

DOS

IR

Vibrations