Geometry & MOs

Info

ID:

80438

PubChem CID:

49834456

Reduced:

N7O9C26H51 (1)

Stoich.:

A7B9C26D51 (1)

Weight, g/mol:

789.351983

ΔHf, kcal/mol:

-409.97

Dipole, Da:

2.19

IP(EA), eV:

 -9.11(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,26S,32Z,34S,39S)-N-cyclopropylsulfonyl-5,24,38,40-tetraoxo-16-oxa-1,4,23,25,37,43-hexazahexacyclo[24.13.1.13,39.16,10.111,15.034,36]tritetraconta-6,8,10(43),11(42),12,14,32-heptaene-36-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CN[C@@H]1CC=C(O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)NC(=O)[C@H](CCN)O)N)CN)N

DOS

IR

Vibrations