Geometry & MOs

Info

ID:	79555
PubChem CID:	49829485
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	424.260504
ΔH_f, kcal/mol:	-77.92
Dipole, Da:	5.75
IP(EA), eV:	-8.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-[2-[di(butan-2-yl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)NCCC1=CC(=C(C=C1)OC)OC)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations