Geometry & MOs

Info

ID:

82896

PubChem CID:

49856760

Reduced:

SN5O9C41H51 (1)

Stoich.:

AB5C9D41E51 (1)

Weight, g/mol:

771.293799

ΔHf, kcal/mol:

-314.88

Dipole, Da:

8.41

IP(EA), eV:

 -8.81(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18R)-18-tert-butyl-N-[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-17,20-dioxospiro[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-23,1'-cyclopropane]-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)OCC(COC5=CC=CC(=C5)C6=CC7=CC=CC=C7N=C6O4)(C)C)C(C)(C)C

DOS

IR

Vibrations