Geometry & MOs

Info

ID:	39201
PubChem CID:	8139907
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	422.157209
ΔH_f, kcal/mol:	-61.45
Dipole, Da:	1.82
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)COC3=CC=CC(=C3)C

DOS

IR

Vibrations