Geometry & MOs

Info

ID:	357776
PubChem CID:	127294563
Reduced:	N3S3O5C13H25 (1)
Stoich.:	A3B3C5D13E25 (1)
Weight, g/mol:	364.160283
ΔH_f, kcal/mol:	-215.5
Dipole, Da:	6.28
IP(EA), eV:	-8.87(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCCS(=O)(=O)N1CCSCC1)C2CCS(=O)(=O)C2

DOS

IR

Vibrations