Geometry & MOs

Info

ID:	62036
PubChem CID:	26717163
Reduced:	ClNOSH14C17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	466.164105
ΔH_f, kcal/mol:	17.8
Dipole, Da:	3.13
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations