Geometry & MOs

Info

ID:

7131

PubChem CID:

71326

Reduced:

SN3O11C42H55 (1)

Stoich.:

AB3C11D42E55 (1)

Weight, g/mol:

809.355731

ΔHf, kcal/mol:

-428.64

Dipole, Da:

10.94

IP(EA), eV:

 -8.18(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N3)C)C)O)C)O)C)OC(=O)C)C)OC)C)O

DOS

IR

Vibrations