Geometry & MOs

Info

ID:	217590
PubChem CID:	85088072
Reduced:	PSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	380.105545
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	9.83
IP(EA), eV:	-10.1(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(3-benzyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]acetamide

Drug info:

PubChemData

Smile

CC1(C(O1)COS(=O)(=O)C)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations