Geometry & MOs

Info

ID:

83107

PubChem CID:

49857153

Reduced:

N2O4C18H21 (2)

Stoich.:

A2B4C18D21 (2)

Weight, g/mol:

775.325099

ΔHf, kcal/mol:

-287.32

Dipole, Da:

10.7

IP(EA), eV:

 -9.26(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S,23R)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-23-methyl-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-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CC1(C(=O)O)NC(=O)[C@@H]2CC3CN2C(=O)[C@@H](NC(=O)OCCCOC4=CC=CC(=C4)C5=CC6=CC=CC=C6N=C5O3)C(C)(C)C

DOS

IR

Vibrations