Geometry & MOs

Info

ID:

80475

PubChem CID:

49834648

Reduced:

S2N6O9C37H46 (1)

Stoich.:

A2B6C9D37E46 (1)

Weight, g/mol:

780.295276

ΔHf, kcal/mol:

-293.03

Dipole, Da:

7.55

IP(EA), eV:

 -9.2(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,24S,30Z,32S,37S)-N-cyclopropylsulfonyl-12-fluoro-5,22,36,38-tetraoxo-16,21-dioxa-1,4,23,35,41-pentazahexacyclo[22.13.1.13,37.16,10.111,15.032,34]hentetraconta-6,8,10(41),11,13,15(40),30-heptaene-34-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)OCCCCCOC5=CC=CC(=C5)C6=NC=C(S6)C(=O)N4)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations