Geometry & MOs

Info

ID:

437889

PubChem CID:

135227228

Reduced:

SN4O4C23H36 (1)

Stoich.:

AB4C4D23E36 (1)

Weight, g/mol:

677.38222

ΔHf, kcal/mol:

-142.3

Dipole, Da:

5.81

IP(EA), eV:

 -9.73(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[(6R,8S)-8-[[(1R)-2-ethenyl-1-(pyrrolidin-1-ylsulfonylcarbamoyl)cyclopropyl]carbamoyl]-11,11-dimethyl-9-azadispiro[3.1.46.14]undecan-9-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1([C@]2(C[C@H](NC2)C(=O)N[C@@]3(CC3C=C)C(=O)NS(=O)(=O)N4CCCC4)CC15CCC5)C

DOS

IR

Vibrations