Geometry & MOs

Info

ID:	144452
PubChem CID:	53370100
Reduced:	NO2S2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	316.06147
ΔH_f, kcal/mol:	-33.9
Dipole, Da:	4.54
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylamino]-4-(furan-2-ylmethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)O)SC=C2

DOS

IR

Vibrations