Geometry & MOs

Info

ID:

11230

PubChem CID:

112131

Reduced:

N4O7C28H46 (1)

Stoich.:

A4B7C28D46 (1)

Weight, g/mol:

550.33665

ΔHf, kcal/mol:

-348.84

Dipole, Da:

3.5

IP(EA), eV:

 -10.06(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methylcarbamoyloxy]ethoxy]ethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)CNC(=O)OCCOCCOC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C

DOS

IR

Vibrations