Geometry & MOs

Info

ID:	79673
PubChem CID:	49829931
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	405.143704
ΔH_f, kcal/mol:	-146.2
Dipole, Da:	5.21
IP(EA), eV:	-8.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[2-[(3-phenylpyrazol-4-ylidene)methyl]hydrazinyl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)N2CCCS2(=O)=O)N3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations