Geometry & MOs

Info

ID:	144017
PubChem CID:	53300617
Reduced:	ClO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	480.299494
ΔH_f, kcal/mol:	-143.75
Dipole, Da:	6.75
IP(EA), eV:	-9.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-bis[(1-hexyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-1,2-thiazolidin-4-amine

Drug info:

PubChemData

Smile

CC1(OC2=C([C@@H](O[C@@H](C2)C3CC3)C4=CC=C(C=C4)Cl)C(=O)O1)C

DOS

IR

Vibrations