Geometry & MOs

Info

ID:	437008
PubChem CID:	135213708
Reduced:	O4N6C33H40 (1)
Stoich.:	A4B6C33D40 (1)
Weight, g/mol:	408.084517
ΔH_f, kcal/mol:	-82.63
Dipole, Da:	5.89
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-(1,5-dihydroxy-7-methyl-3,4-dioxonaphthalen-2-yl)-5-hydroxy-3,7-dimethylisochromene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CCC(CC1)(C#N)C2=CC=CC(=C2)CC(C)NC(=O)N3CCC(CC3)(C#N)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations