Geometry & MOs

Info

ID:	146108
PubChem CID:	53636739
Reduced:	SO4N5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	295.097521
ΔH_f, kcal/mol:	-6.79
Dipole, Da:	11.69
IP(EA), eV:	-8.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-2-methoxyphenyl)-5-(methylamino)-2-propylfuran-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)CNN=C3C(=CC4=C(C3=O)C=CC(=C4)NC)C)S(=O)(=O)O

DOS

IR

Vibrations