Geometry & MOs

Info

ID:

215408

PubChem CID:

85084690

Reduced:

N12O13C38H54 (1)

Stoich.:

A12B13C38D54 (1)

Weight, g/mol:

886.435086

ΔHf, kcal/mol:

-556.8

Dipole, Da:

6.25

IP(EA), eV:

 -9.49(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-(5,6-diacetyloxy-6-methyl-4-oxoheptan-2-yl)-7,7,12,16-tetramethyl-14-oxo-6-(3,4,5-triacetyloxyoxan-2-yl)oxy-18-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CO)NC(=O)C(CC3=CN=CN3)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)N)O

DOS

IR

Vibrations