Geometry & MOs

Info

ID:	54783
PubChem CID:	17389267
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	261.113171
ΔH_f, kcal/mol:	8.28
Dipole, Da:	10.51
IP(EA), eV:	-8.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[di(propan-2-yl)amino]furan-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)/N=C/N(C)C)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations