Geometry & MOs

Info

ID:

181048

PubChem CID:

76715560

Reduced:

SN4O6C44H48 (1)

Stoich.:

AB4C6D44E48 (1)

Weight, g/mol:

768.232128

ΔHf, kcal/mol:

-124.7

Dipole, Da:

7.0

IP(EA), eV:

 -9.09(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1,3-benzothiazol-2-yloxy)-14-[benzyl(methylsulfonyl)amino]-N-cyclopropylsulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC(=NC6=CC=CC=C65)C7=CC=CC=C7)CC8=CC=CC=C8

DOS

IR

Vibrations