Geometry & MOs

Info

ID:	30531
PubChem CID:	841458
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	338.104876
ΔH_f, kcal/mol:	-6.85
Dipole, Da:	5.15
IP(EA), eV:	-8.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxyethyl)piperazine-1-carbothioyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCNC(=S)N1CCN(CC1)C2=CC=CC=C2OC

DOS

IR

Vibrations