Geometry & MOs

Info

ID:	133995
PubChem CID:	51624481
Reduced:	ClO2S2N3C23H26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	185.189198
ΔH_f, kcal/mol:	3.82
Dipole, Da:	6.31
IP(EA), eV:	-8.73(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(S2)Cl)[C@H](CNS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations