Geometry & MOs

Info

ID:

181042

PubChem CID:

76715554

Reduced:

SN4O7C45H50 (1)

Stoich.:

AB4C7D45E50 (1)

Weight, g/mol:

701.324705

ΔHf, kcal/mol:

-160.9

Dipole, Da:

4.38

IP(EA), eV:

 -8.55(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-(1-ethylimidazo[4,5-c]pyridin-2-yl)oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C(N=C(C=C12)C3=CC=CC=N3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8)OC

DOS

IR

Vibrations