Geometry & MOs

Info

ID:

82991

PubChem CID:

49856958

Reduced:

SN4O9C40H46 (1)

Stoich.:

AB4C9D40E46 (1)

Weight, g/mol:

774.32985

ΔHf, kcal/mol:

-285.62

Dipole, Da:

1.01

IP(EA), eV:

 -8.92(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S,23S)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-23-methyl-17,20-dioxo-12,21,25-trioxa-16,19-diazapentacyclo[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)(C)[C@H]1C(=O)N2CC(C[C@H]2C(=O)NC3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=CC6=CC=CC=C6C=C5C7=CC(=CC=C7)OCCCOC(=O)N1

DOS

IR

Vibrations