Geometry & MOs

Info

ID:

168608

PubChem CID:

74994240

Reduced:

N3O11C52H67 (1)

Stoich.:

A3B11C52D67 (1)

Weight, g/mol:

891.52451

ΔHf, kcal/mol:

-310.35

Dipole, Da:

9.21

IP(EA), eV:

 -8.28(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[26-[(dihexylhydrazinylidene)methyl]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

CC1CC(CC(N1N=CC2=CC3=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)CC6=CC=CC=C6

DOS

IR

Vibrations