Geometry & MOs

Info

ID:	195497
PubChem CID:	78694925
Reduced:	BrNO2S2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	353.246713
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	5.95
IP(EA), eV:	-9.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(S3)Br)CCCC(=O)O

DOS

IR

Vibrations