Geometry & MOs

Info

ID:	57721
PubChem CID:	24276820
Reduced:	S2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	255.08639
ΔH_f, kcal/mol:	50.86
Dipole, Da:	4.89
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanethioamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C(C2=CC=CS2)C(=S)N

DOS

IR

Vibrations