Geometry & MOs

Info

ID:

191413

PubChem CID:

78144064

Reduced:

O6N7C21H37 (1)

Stoich.:

A6B7C21D37 (1)

Weight, g/mol:

1253.635911

ΔHf, kcal/mol:

-253.72

Dipole, Da:

8.53

IP(EA), eV:

 -9.75(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[5-[5-(1-hydroxy-2,5-dimethylnona-2,4-dienylidene)-4,6-dioxopyran-2-yl]hex-1-enyl]carbamate;[2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)C(C)(C)N=[N+]=[N-]

DOS

IR

Vibrations