Geometry & MOs

Info

ID:

146467

PubChem CID:

53695057

Reduced:

N2O4C31H36 (1)

Stoich.:

A2B4C31D36 (1)

Weight, g/mol:

501.996532

ΔHf, kcal/mol:

-71.99

Dipole, Da:

3.87

IP(EA), eV:

 -7.62(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5,5-dimethyl-1,3-dithiolan-4-ylidene)amino] N-[[[(5,5-dimethyl-1,3-dithiolan-4-ylidene)amino]oxycarbonyl-methylamino]disulfanyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

COC1=CC2=CN(C(=C2C=C1OC)O)CC3CCCN(C3)CCC4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations