Geometry & MOs

Info

ID:

14847

PubChem CID:

422352

Reduced:

NO6C22H28 (2)

Stoich.:

AB6C22D28 (2)

Weight, g/mol:

804.383325

ΔHf, kcal/mol:

-465.23

Dipole, Da:

5.82

IP(EA), eV:

 -8.35(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(27-acetyl-28-ethyl-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,29-octamethyl-6,23-dioxo-8,33-dioxa-24,29-diazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25(32),26(30),27-nonaen-13-yl) acetate

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1C)C3=C4C(=C(C5=C3C(=O)C(O5)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC2=C4O)C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)C(=O)C

DOS

IR

Vibrations