Geometry & MOs

Info

ID:	62241
PubChem CID:	26718519
Reduced:	SN5O5H19C20 (1)
Stoich.:	AB5C5D19E20 (1)
Weight, g/mol:	420.99095
ΔH_f, kcal/mol:	-64.42
Dipole, Da:	8.75
IP(EA), eV:	-9.14(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromobenzoyl)-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations