Geometry & MOs

Info

ID:	410436
PubChem CID:	135083232
Reduced:	PN2H7C10 (1)
Stoich.:	AB2C7D10 (1)
Weight, g/mol:	552.235933
ΔH_f, kcal/mol:	81.41
Dipole, Da:	2.46
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9S,15S)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NN3C2=PC=C3

DOS

IR

Vibrations