Geometry & MOs

Info

ID:	393062
PubChem CID:	135019179
Reduced:	NSO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	619.84233
ΔH_f, kcal/mol:	81.81
Dipole, Da:	4.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769622
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-bis(bromomethyl)-4-chloro-6,7-dimethoxynaphthalen-1-yl]-6-(bromomethyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C#[C+]

DOS

IR

Vibrations