Geometry & MOs

Info

ID:	174981
PubChem CID:	75841662
Reduced:	ON3C23H35 (1)
Stoich.:	AB3C23D35 (1)
Weight, g/mol:	362.13608
ΔH_f, kcal/mol:	21.5
Dipole, Da:	27.87
IP(EA), eV:	-4.21(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-2-(2-ethylsulfanyl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)[NH+]=C(C=C2C)N3CCC(CC3)[NH+]4CCCC(C4)CO

DOS

IR

Vibrations