Geometry & MOs

Info

ID:	358528
PubChem CID:	127296124
Reduced:	OSN3C15H27 (1)
Stoich.:	ABC3D15E27 (1)
Weight, g/mol:	342.172562
ΔH_f, kcal/mol:	-69.43
Dipole, Da:	4.5
IP(EA), eV:	-8.67(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3CCSCC3

DOS

IR

Vibrations