Geometry & MOs

Info

ID:	147503
PubChem CID:	53787159
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	419.122501
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	4.9
IP(EA), eV:	-9.29(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-2-methyl-2-[(10-methylsulfanylanthracen-9-yl)methylamino]propyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2[C@H]([C@H](C2=O)NC(=O)CC3=CC=CC=C3)CO)C

DOS

IR

Vibrations