Geometry & MOs

Info

ID:

181830

PubChem CID:

76800363

Reduced:

NO3C16H22 (2)

Stoich.:

AB3C16D22 (2)

Weight, g/mol:

604.351237

ΔHf, kcal/mol:

-221.38

Dipole, Da:

4.4

IP(EA), eV:

 -9.52(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[13,20,22-trihydroxy-4,8,10,12,14,16-hexamethyl-3-oxo-19-(2-phenylethyl)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22),19-hexaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)CCC=C)C)C)OC(=O)N)C)C)O)C

DOS

IR

Vibrations