Geometry & MOs

Info

ID:

181081

PubChem CID:

76715593

Reduced:

FSN4O6C42H47 (1)

Stoich.:

ABC4D6E42F47 (1)

Weight, g/mol:

713.280458

ΔHf, kcal/mol:

-195.42

Dipole, Da:

6.45

IP(EA), eV:

 -8.52(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropylsulfonylcarbamoyl)-18-[(7-methyl-1,3-benzothiazol-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=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=CC=C(C=C6)F)C(=O)O)C7=NC(=CS7)C(C)C)OC

DOS

IR

Vibrations