Geometry & MOs

Info

ID:	175139
PubChem CID:	75859820
Reduced:	O2N4C25H35 (1)
Stoich.:	A2B4C25D35 (1)
Weight, g/mol:	424.037009
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752816
Charge, e:	-1

Chem-info

IUPAC name:

5-chloro-N-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-(methanesulfonamido)benzenecarbohydrazonate

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)NC1=CC=CC(=C1)C(=O)N(C)C2=CC=CC=C2)C3CCCCC3

DOS

IR

Vibrations