Geometry & MOs

Info

ID:

82108

PubChem CID:

49855617

Reduced:

PN5O6C18H28 (1)

Stoich.:

AB5C6D18E28 (1)

Weight, g/mol:

761.309449

ΔHf, kcal/mol:

-252.28

Dipole, Da:

3.81

IP(EA), eV:

 -9.17(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18R,23S)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-23-methyl-17,20-dioxo-12,21,24-trioxa-10,16,19-triazapentacyclo[23.3.1.113,16.02,11.04,9]triaconta-1(29),2,4,6,8,10,25,27-octaene-15-carboxamide

Drug info:

PubChemData

Smile

CCOP(=O)(CO[C@]1(C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N)C4CC4)OCC

DOS

IR

Vibrations