Geometry & MOs

Info

ID:	178585
PubChem CID:	76353296
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	437.150619
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=CC(=O)NCC2=NC(=CS2)C3=CC=NC=C3)Cl)OC

DOS

IR

Vibrations