Geometry & MOs

Info

ID:	154835
PubChem CID:	56314374
Reduced:	S2O3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	4.94
IP(EA), eV:	-9.26(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NC(C)CN3C=CN=C3

DOS

IR

Vibrations