Geometry & MOs

Info

ID:

83395

PubChem CID:

49857543

Reduced:

SN4O9C42H50 (1)

Stoich.:

AB4C9D42E50 (1)

Weight, g/mol:

773.309449

ΔHf, kcal/mol:

-283.66

Dipole, Da:

9.91

IP(EA), eV:

 -8.93(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S,23S)-18-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-23-methyl-17,20-dioxo-12,21,25-trioxa-3,16,19-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

CC[C@@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3CC4CN3C(=O)[C@@H](NC(=O)OCC5(CC5)COC6=CC=CC(=C6)C7=CC8=CC=CC=C8C=C7O4)C(C)(C)C

DOS

IR

Vibrations