Geometry & MOs

Info

ID:	140247
PubChem CID:	52669595
Reduced:	BrNO2H18C20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	429.180781
ΔH_f, kcal/mol:	-9.74
Dipole, Da:	3.29
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(2-morpholin-4-ylsulfonyl-4-nitroanilino)propyl]piperidin-1-ium-4-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=CO2)NC(=O)CCC3=CC=CC=C3Br

DOS

IR

Vibrations