Geometry & MOs

Info

ID:	167132
PubChem CID:	74784502
Reduced:	SN2O4C28H37 (1)
Stoich.:	AB2C4D28E37 (1)
Weight, g/mol:	407.164068
ΔH_f, kcal/mol:	-105.39
Dipole, Da:	23.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764589
Charge, e:	1

Chem-info

IUPAC name:

[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl-(1,1-dioxothiolan-3-yl)-prop-2-enylazanium

Drug info:

PubChemData

Smile

CCC1CC2C(C(C1O)C(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)OC=C(C2=O)C5=NC(=CS5)C

DOS

IR

Vibrations