Geometry & MOs

Info

ID:	158495
PubChem CID:	56464077
Reduced:	ClSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	6.84
IP(EA), eV:	-8.66(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations