Geometry & MOs

Info

ID:	391391
PubChem CID:	135004694
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	461.12413
ΔH_f, kcal/mol:	-161.08
Dipole, Da:	3.06
IP(EA), eV:	-8.28(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(tert-butylamino)-5-(6-chloro-4-oxochromen-3-yl)furan-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2C(=C(/C(=N/N(C(C)C)C(C)C)/O2)C(=O)OC)C(=O)OC

DOS

IR

Vibrations