Geometry & MOs

Info

ID:	382148
PubChem CID:	134973110
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	469.246438
ΔH_f, kcal/mol:	138.79
Dipole, Da:	1.54
IP(EA), eV:	-8.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-N-[(E)-3-[(1S,17R)-8,17-dihydroxy-10-oxo-11,19-dioxatricyclo[13.3.1.04,9]nonadeca-4(9),5,7-trien-12-yl]prop-1-enyl]hepta-2,4-dienamide

Drug info:

PubChemData

Smile

C=NC1=CC=CC=C1NCC2=NC(=CC=C2)CNC3=CC=CC=C3N=C

DOS

IR

Vibrations