Geometry & MOs

Info

ID:	137925
PubChem CID:	52284248
Reduced:	O2N6C24H31 (1)
Stoich.:	A2B6C24D31 (1)
Weight, g/mol:	363.174239
ΔH_f, kcal/mol:	0.81
Dipole, Da:	3.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.952116
Charge, e:	1

Chem-info

IUPAC name:

(2-methoxyphenyl)methyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]-[[(2S)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)C2=[NH+]C=C(C=C2)NC(=O)N(C)CC3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations