Geometry & MOs

Info

ID:

181214

PubChem CID:

76715727

Reduced:

S2N4O6C33H40 (1)

Stoich.:

A2B4C6D33E40 (1)

Weight, g/mol:

746.347312

ΔHf, kcal/mol:

-136.03

Dipole, Da:

8.9

IP(EA), eV:

 -8.72(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(dimethylsulfamoylcarbamoyl)-18-(7-fluoro-1-propan-2-ylbenzimidazol-2-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC(NC3)C(=O)CC4(CC4C=C)C(=O)NS(=O)(=O)C5(CC5)C)C6=NC(=CS6)C(C)C)OC

DOS

IR

Vibrations