Geometry & MOs

Info

ID:	352481
PubChem CID:	127283569
Reduced:	ClOSN5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	46.25
Dipole, Da:	0.9
IP(EA), eV:	-9.53(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations