Geometry & MOs

Info

ID:

181832

PubChem CID:

76800365

Reduced:

FN2O6C31H43 (1)

Stoich.:

AB2C6D31E43 (1)

Weight, g/mol:

554.335587

ΔHf, kcal/mol:

-300.2

Dipole, Da:

3.87

IP(EA), eV:

 -9.77(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(19-but-3-enyl-13,20,22-trihydroxy-4,8,10,12,14,16-hexamethyl-3-oxo-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)CCCF)C)C)OC(=O)N)C)C)O)C

DOS

IR

Vibrations