Geometry & MOs

Info

ID:	393133
PubChem CID:	135019482
Reduced:	O3N5C15H15 (1)
Stoich.:	A3B5C15D15 (1)
Weight, g/mol:	382.162768
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	5.67
IP(EA), eV:	-9.03(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,7S,10S,15S,18R)-6,15,18-trihydroxy-12,12-dimethyl-8-oxo-9,17-dioxapentacyclo[8.5.3.01,11.02,7.07,18]octadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(N=C1O/N=C/C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations