Geometry & MOs

Info

ID:	347916
PubChem CID:	127272978
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-39.2
Dipole, Da:	4.56
IP(EA), eV:	-9.22(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothiolan-3-yl)-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCC(CC2)C3=NC(=NN3)C4=CC=CC=C4

DOS

IR

Vibrations