Geometry & MOs

Info

ID:	137381
PubChem CID:	52201659
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	3.58
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OCCOC

DOS

IR

Vibrations