Geometry & MOs

Info

ID:

215429

PubChem CID:

85084720

Reduced:

Cl3O12C45H65 (1)

Stoich.:

A3B12C45D65 (1)

Weight, g/mol:

905.306353

ΔHf, kcal/mol:

-609.62

Dipole, Da:

5.25

IP(EA), eV:

 -9.09(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopentyl N-[18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-4-(trifluoromethylsulfonylcarbamoyl)-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)OC)C)C)C)OC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C

DOS

IR

Vibrations