Geometry & MOs

Info

ID:	31706
PubChem CID:	858526
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	187.114319
ΔH_f, kcal/mol:	-89.75
Dipole, Da:	9.83
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-methylpiperazine-1-carbothioamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CSC2=NC(=O)C(=C(N2)C)CC

DOS

IR

Vibrations