Geometry & MOs

Info

ID:	80590
PubChem CID:	49835330
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	580.100575
ΔH_f, kcal/mol:	75.28
Dipole, Da:	3.0
IP(EA), eV:	-9.09(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[[4-(acetamidomethyl)phenyl]methyl]-2-N-[(E)-1-[5-(4-chlorophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]thiophene-2,5-dicarboxamide

Drug info:

PubChemData

Smile

C1C(C1C(=O)N/N=C/C2=CC(=C3C(=C2)C=CC=N3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations