Geometry & MOs

Info

ID:

148630

PubChem CID:

53788298

Reduced:

N4O4C29H32 (1)

Stoich.:

A4B4C29D32 (1)

Weight, g/mol:

462.146724

ΔHf, kcal/mol:

-102.24

Dipole, Da:

3.46

IP(EA), eV:

 -8.71(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-(7-hydroxy-19-oxo-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,7,10,15,17,20-nonaen-13-yl)-3-methylbenzoate

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C=C4C(=O)NC(=O)N4CCCC

DOS

IR

Vibrations