Geometry & MOs

Info

ID:	157905
PubChem CID:	56458932
Reduced:	S2O3N4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	-93.91
Dipole, Da:	5.29
IP(EA), eV:	-8.4(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[4-(furan-2-carbonylamino)benzoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CSCN2C(=O)CC(C3=CC=CS3)NC(=O)N)C

DOS

IR

Vibrations