Geometry & MOs

Info

ID:

419519

PubChem CID:

135108339

Reduced:

ON4C18H24 (1)

Stoich.:

AB4C18D24 (1)

Weight, g/mol:

626.288654

ΔHf, kcal/mol:

9.26

Dipole, Da:

4.09

IP(EA), eV:

 -8.94(0.01)

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]-2-methylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NCC2CN(CCCO2)CC3=CC=CC=C3

DOS

IR

Vibrations