Geometry & MOs

Info

ID:

170959

PubChem CID:

75307039

Reduced:

SN5O9C41H49 (1)

Stoich.:

AB5C9D41E49 (1)

Weight, g/mol:

761.309449

ΔHf, kcal/mol:

-232.84

Dipole, Da:

10.48

IP(EA), eV:

 -7.7(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-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

CC1(COC2=CC=CC(=C2)C3=CC4=CC=CC=C4N=C3OC5CC(N(C5)C(=O)C(NC(=O)OC1)C(C)(C)C)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7)C

DOS

IR

Vibrations