Geometry & MOs

Info

ID:

313421

PubChem CID:

126614628

Reduced:

N2O5C22H26 (1)

Stoich.:

A2B5C22D26 (1)

Weight, g/mol:

918.085278

ΔHf, kcal/mol:

-164.17

Dipole, Da:

1.24

IP(EA), eV:

 -8.8(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl 2-[[(Z)-2-amino-2-[4-[1-[2-[4-[(Z)-1-amino-2-[(2-butoxy-2-oxoethyl)amino]ethenyl]-5-chloro-2-hydroxybenzoyl]-4,5-dichloro-1H-pyrrol-3-yl]-4,5-dichloropyrrole-2-carbonyl]-2-chloro-5-hydroxyphenyl]ethenyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCNC=O

DOS

IR

Vibrations