Geometry & MOs

Info

ID:

80250

PubChem CID:

49833732

Reduced:

SN6O8C39H48 (1)

Stoich.:

AB6C8D39E48 (1)

Weight, g/mol:

775.336333

ΔHf, kcal/mol:

-255.6

Dipole, Da:

4.53

IP(EA), eV:

 -8.83(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,13S,18S,19Z,26S)-N-cyclopropylsulfonyl-8,14,28,40-tetraoxo-34-oxa-7,9,12,15,27,42-hexazahexacyclo[33.2.2.12,6.110,13.112,26.016,18]dotetraconta-1(38),2(42),3,5,19,35(39),36-heptaene-16-carboxamide

Drug info:

PubChemData

Smile

C1CC/C=C\[C@@H]2CC2(NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@H](CC1)NC(=O)CCCCCOC5=CC=CC(=C5)C6=NC(=CC=C6)C(=O)N4)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations