Geometry & MOs

Info

ID:	58044
PubChem CID:	24423692
Reduced:	ClSO2N4C15H15 (1)
Stoich.:	ABC2D4E15F15 (1)
Weight, g/mol:	348.165369
ΔH_f, kcal/mol:	54.74
Dipole, Da:	8.66
IP(EA), eV:	-8.86(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis(3-methoxypropyl)piperazine-1,4-dicarbothioamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations