Geometry & MOs

Info

ID:	140057
PubChem CID:	52638365
Reduced:	ClSN2O5C19H29 (1)
Stoich.:	ABC2D5E19F29 (1)
Weight, g/mol:	427.05315
ΔH_f, kcal/mol:	-228.01
Dipole, Da:	5.81
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC(C)C)C(=O)C1=C(C=CC(=C1)S(=O)(=O)N(C)C(C)C)Cl

DOS

IR

Vibrations