Geometry & MOs

Info

ID:

180805

PubChem CID:

76688985

Reduced:

NSO3C29H45 (1)

Stoich.:

ABC3D29E45 (1)

Weight, g/mol:

809.311279

ΔHf, kcal/mol:

-179.73

Dipole, Da:

3.22

IP(EA), eV:

 -8.73(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(26-tert-butyl-7-chloro-11,24,27-trioxo-2,23-dioxa-12,28-diazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,15-pentaen-29-yl)-2-oxoethyl]-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)CCCCCSC1CC2C(CCC3(C2CCC3O)C)C4=C1C=C(C=C4)O

DOS

IR

Vibrations