Geometry & MOs

Info

ID:

219142

PubChem CID:

85090870

Reduced:

N2O3C17H21 (2)

Stoich.:

A2B3C17D21 (2)

Weight, g/mol:

603.266854

ΔHf, kcal/mol:

-225.83

Dipole, Da:

4.19

IP(EA), eV:

 -8.29(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[N-[3-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]prop-2-enyl]-4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1CCCCC1OC(=O)NC(C)(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CC=CC=C4)CNC(=O)C=CC(=O)OC

DOS

IR

Vibrations