Geometry & MOs

Info

ID:	217545
PubChem CID:	85087978
Reduced:	N2O7C18H18 (1)
Stoich.:	A2B7C18D18 (1)
Weight, g/mol:	374.136553
ΔH_f, kcal/mol:	-214.64
Dipole, Da:	2.74
IP(EA), eV:	-8.85(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-(hydroxymethyl)-1-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-9,11-dien-8-yl] 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)NC4C(C(C(C(O4)CO)O)O)O

DOS

IR

Vibrations