Geometry & MOs

Info

ID:	121655
PubChem CID:	50776170
Reduced:	SN3O4C20H31 (1)
Stoich.:	AB3C4D20E31 (1)
Weight, g/mol:	438.084331
ΔH_f, kcal/mol:	-166.32
Dipole, Da:	7.43
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC3CCCO3)C

DOS

IR

Vibrations