Geometry & MOs

Info

ID:

402194

PubChem CID:

135054863

Reduced:

S2O7C34H34 (1)

Stoich.:

A2B7C34D34 (1)

Weight, g/mol:

582.207427

ΔHf, kcal/mol:

-171.59

Dipole, Da:

3.76

IP(EA), eV:

 -8.56(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)[C@@H]([C@@H]2CC(CC2=C)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5)OC

DOS

IR

Vibrations