Geometry & MOs

Info

ID:

83242

PubChem CID:

49857341

Reduced:

N3O3H19C21 (1)

Stoich.:

A3B3C19D21 (1)

Weight, g/mol:

773.309449

ΔHf, kcal/mol:

-32.38

Dipole, Da:

3.79

IP(EA), eV:

 -8.99(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S,23R)-18-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-23-methyl-17,20-dioxo-12,21,25-trioxa-10,16,19-triazapentacyclo[24.3.1.113,16.02,11.04,9]hentriaconta-1(30),2,4,6,8,10,26,28-octaene-15-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CCN3C(=O)N(C(=O)N3C2C4=CC=CC=C4O1)C5=CC=CC=C5)C

DOS

IR

Vibrations