Geometry & MOs

Info

ID:	46459
PubChem CID:	10524500
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	391.135448
ΔH_f, kcal/mol:	16.85
Dipole, Da:	6.54
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-2-(4-methylphenyl)-1-oxo-4-phenyl-1,2,5-thiadiazolidin-3-imine

Drug info:

PubChemData

Smile

CC(C)N=C(NC#N)NC1=CC=CC(=C1)/C(=C\CCCC(=O)O)/C2=CN=CC=C2

DOS

IR

Vibrations