Geometry & MOs

Info

ID:

221770

PubChem CID:

85286126

Reduced:

O8N9C27H41 (1)

Stoich.:

A8B9C27D41 (1)

Weight, g/mol:

619.383266

ΔHf, kcal/mol:

-341.32

Dipole, Da:

5.53

IP(EA), eV:

 -9.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(dimethylamino)-14-ethenyl-8,8,12,14,17-pentamethyl-16-oxo-10-(2-piperidin-1-ylethylcarbamoyloxy)-2,4,13-trioxatetracyclo[7.7.1.01,12.05,17]heptadecan-11-yl] acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)C1=CC=CC=C1

DOS

IR

Vibrations