Geometry & MOs

Info

ID:

14854

PubChem CID:

422631

Reduced:

N2O13C46H60 (1)

Stoich.:

A2B13C46D60 (1)

Weight, g/mol:

848.40954

ΔHf, kcal/mol:

-533.27

Dipole, Da:

6.18

IP(EA), eV:

 -8.4(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 13-acetyloxy-2,15,17,32-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,28,29-nonamethyl-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-nonaene-27-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C5=C2C(=C(N5C)C)C(=O)OC(C)(C)C)O)C

DOS

IR

Vibrations