Geometry & MOs

Info

ID:	157165
PubChem CID:	56422213
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	4.79
IP(EA), eV:	-9.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1,3-diphenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3

DOS

IR

Vibrations