Geometry & MOs

Info

ID:

83106

PubChem CID:

49857152

Reduced:

SF2N5O9C38H43 (1)

Stoich.:

AB2C5D9E38F43 (1)

Weight, g/mol:

658.300264

ΔHf, kcal/mol:

-393.84

Dipole, Da:

2.68

IP(EA), eV:

 -9.12(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1-[[(15S,18S)-18-tert-butyl-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-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1C(=O)N2CC(C[C@H]2C(=O)NC3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=CC=CC=C6C=C5C7=CC(=CC=C7)OCCCOC(=O)N1

DOS

IR

Vibrations