Geometry & MOs

Info

ID:

180920

PubChem CID:

76704640

Reduced:

FO2C18H25 (1)

Stoich.:

AB2C18D25 (1)

Weight, g/mol:

872.375418

ΔHf, kcal/mol:

-137.69

Dipole, Da:

2.54

IP(EA), eV:

 -9.35(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropylsulfonylcarbamoyl)-18-[4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1-propan-2-ylbenzimidazol-2-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CC(CCCCCC=C)C(=O)OC)F

DOS

IR

Vibrations