Geometry & MOs

Info

ID:	141484
PubChem CID:	52881568
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	452.315127
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	4.34
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

benzyl-methyl-[[1-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCN1CC2=NC3=C(C(=C(S3)C)C4=CC=C(C=C4)C)C(=O)N2

DOS

IR

Vibrations