Geometry & MOs

Info

ID:

82261

PubChem CID:

49855819

Reduced:

SF2N5O9C38H43 (1)

Stoich.:

AB2C5D9E38F43 (1)

Weight, g/mol:

773.309449

ΔHf, kcal/mol:

-289.79

Dipole, Da:

7.15

IP(EA), eV:

 -7.21(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S)-18-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-23,23-dimethyl-17,20-dioxo-12,21,24-trioxa-10,16,19-triazapentacyclo[23.3.1.113,16.02,11.04,9]triaconta-1(29),2,4,6,8,10,25,27-octaene-15-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1COC2=CC=CC(=C2)C3=CC4=CC=CC=C4N=C3OC5C[C@H](N(C5)C(=O)[C@H](NC(=O)O1)C(C)(C)C)C(=O)NC6(C[C@H]6C(F)F)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations