Geometry & MOs

Info

ID:	263612
PubChem CID:	103382993
Reduced:	N3S3O4C9H15 (1)
Stoich.:	A3B3C4D9E15 (1)
Weight, g/mol:	319.113667
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	4.13
IP(EA), eV:	-9.11(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfonyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(SN=C1N)NC2CCS(=O)(=O)CC2

DOS

IR

Vibrations