Geometry & MOs

Info

ID:

170963

PubChem CID:

75307043

Reduced:

N3O8C37H43 (1)

Stoich.:

A3B8C37D43 (1)

Weight, g/mol:

774.32985

ΔHf, kcal/mol:

-195.08

Dipole, Da:

6.81

IP(EA), eV:

 -8.78(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-tert-butyl-N-[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

CCC1CC1(C(=O)O)NC(=O)C2CC3CN2C(=O)C(NC(=O)OCCCOC4=CC=CC(=C4)C5=CC6=CC=CC=C6C=C5O3)C(C)(C)C

DOS

IR

Vibrations