Geometry & MOs

Info

ID:

443421

PubChem CID:

135258947

Reduced:

N4O7C19H24 (1)

Stoich.:

A4B7C19D24 (1)

Weight, g/mol:

894.33369

ΔHf, kcal/mol:

-247.33

Dipole, Da:

2.74

IP(EA), eV:

 -9.43(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(E)-N-[2-[3-[2-[[(E)-1-[4-[(3-cyanato-4-methylphenyl)carbamoyloxy]phenyl]ethylideneamino]oxycarbonylamino]propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]-C-methylcarbonimidoyl]phenyl] N-(3-cyanato-4-methylphenyl)carbamate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC(=C2O)C(=O)N)COC(=O)[C@H](COCC3=CC=CC=C3)N)O

DOS

IR

Vibrations