Geometry & MOs

Info

ID:

168459

PubChem CID:

74971353

Reduced:

N5O5C33H55 (1)

Stoich.:

A5B5C33D55 (1)

Weight, g/mol:

770.351356

ΔHf, kcal/mol:

-182.05

Dipole, Da:

8.97

IP(EA), eV:

 -6.34(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,4,24-triacetyloxy-22-(1-acetyloxyethyl)-2,5,15-trimethyl-9-methylidene-19-oxo-23-prop-1-en-2-yloxy-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCN(CC(C1CC2=CC=C(C=C2)OCCCCCC(=O)NC(C(=O)N1)C(C)C)O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations