Geometry & MOs

Info

ID:

436665

PubChem CID:

135207228

Reduced:

O5N6C39H52 (1)

Stoich.:

A5B6C39D52 (1)

Weight, g/mol:

323.148121

ΔHf, kcal/mol:

-169.49

Dipole, Da:

9.77

IP(EA), eV:

 -8.64(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]carbamic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C(C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC4=C(CN(CC4)C5=NC(=NC=C5)N6C7COCC6COC7)C=C3

DOS

IR

Vibrations