Geometry & MOs

Info

ID:	228141
PubChem CID:	87563515
Reduced:	O2S2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	429.145738
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	6.87
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl sulfate;[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=NC3=C(C=C2)N=C(S3)N

DOS

IR

Vibrations