Geometry & MOs

Info

ID:

391933

PubChem CID:

135011132

Reduced:

N4C41H42 (1)

Stoich.:

A4B41C42 (1)

Weight, g/mol:

502.040667

ΔHf, kcal/mol:

170.66

Dipole, Da:

4.32

IP(EA), eV:

 -7.62(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl 1-[4-amino-3,5-dichloro-6-[(1,4-dimethoxy-1,4-dioxobutan-2-ylidene)amino]pyridin-2-yl]triazole-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC\1=C(C2=CC3=N/C(=C\C4=NC(CC5=C(C(=C(N5)/C=C1\N2)C)C)C(C4=C(C6=CC=CC=C6)C7=CC=CC=C7)(C)C)/C(=C3C)C)C

DOS

IR

Vibrations