Geometry & MOs

Info

ID:

181093

PubChem CID:

76715605

Reduced:

FS2N3O6C38H44 (1)

Stoich.:

AB2C3D6E38F44 (1)

Weight, g/mol:

701.278229

ΔHf, kcal/mol:

-207.9

Dipole, Da:

4.62

IP(EA), eV:

 -9.2(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropylsulfonylcarbamoyl)-18-[(6-fluoro-1,3-benzoxazol-2-yl)oxy]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6S5)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations