Geometry & MOs

Info

ID:	165101
PubChem CID:	74500482
Reduced:	N2O4C20H31 (1)
Stoich.:	A2B4C20D31 (1)
Weight, g/mol:	410.183956
ΔH_f, kcal/mol:	-128.49
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.025908
Charge, e:	2

Chem-info

IUPAC name:

(2,4-difluorophenyl)methyl-[[2-(2-hydroxy-3-thiomorpholin-4-ium-4-ylpropoxy)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

COCC(=O)N1CCC2(C1)CCC[NH+](C2)CC3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations