Geometry & MOs

Info

ID:	242978
PubChem CID:	99214707
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	442.251481
ΔH_f, kcal/mol:	-114.91
Dipole, Da:	5.98
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)NCC2=CC=C(C=C2)CN3C=CC=CC3=O

DOS

IR

Vibrations