Geometry & MOs

Info

ID:

419050

PubChem CID:

135107388

Reduced:

NO2C11H13 (2)

Stoich.:

AB2C11D13 (2)

Weight, g/mol:

543.305684

ΔHf, kcal/mol:

-144.94

Dipole, Da:

7.54

IP(EA), eV:

 -8.66(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(10S,18S)-8-methyl-10-(2-methylpropyl)-4,9,12,17-tetraoxo-2-oxa-5,8,11,16-tetrazabicyclo[18.2.2]tetracosa-1(22),20,23-trien-18-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1C)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations