Geometry & MOs

Info

ID:

176173

PubChem CID:

76003947

Reduced:

N5H21C24 (1)

Stoich.:

A5B21C24 (1)

Weight, g/mol:

620.382537

ΔHf, kcal/mol:

155.6

Dipole, Da:

1.72

IP(EA), eV:

 -8.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzoyloxy-15-[1-(dimethylamino)ethyl]-7,12,16-trimethyl-6-(2-methylpropanoylamino)-18-oxopentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC2=CC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4

DOS

IR

Vibrations