Geometry & MOs

Info

ID:

169017

PubChem CID:

75054637

Reduced:

ClNO2H16C17 (1)

Stoich.:

ABC2D16E17 (1)

Weight, g/mol:

709.405064

ΔHf, kcal/mol:

-52.79

Dipole, Da:

6.06

IP(EA), eV:

 -9.4(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-tert-butyl-N-[1-(cyclopentylamino)-1,2-dioxohexan-3-yl]-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6(11),7,9-triene-24-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)O1)CC2=CC=C(C=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations