Geometry & MOs

Info

ID:

221638

PubChem CID:

85285800

Reduced:

O2N3C16H19 (2)

Stoich.:

A2B3C16D19 (2)

Weight, g/mol:

570.330502

ΔHf, kcal/mol:

-95.81

Dipole, Da:

4.45

IP(EA), eV:

 -8.62(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(dimethylamino)-14-ethenyl-11-hydroxy-8,8,12,14,17-pentamethyl-16-oxo-2,4,13-trioxatetracyclo[7.7.1.01,12.05,17]heptadecan-10-yl] N-(2-phenylethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CNC(=O)C1=CC2=C(C=C1)N(N=C2)CCCNC3=CC=CC=N3)NC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations