Geometry & MOs

Info

ID:	223685
PubChem CID:	85335418
Reduced:	OCl3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	488.084052
ΔH_f, kcal/mol:	-14.05
Dipole, Da:	3.55
IP(EA), eV:	-8.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-3-yl)-2-[2-(2,6-dichloroanilino)-4-oxo-1,3-thiazol-5-ylidene]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C(CCN)C3=CC(=C(C=C3)Cl)Cl)C(NN2)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations