Geometry & MOs

Info

ID:	143867
PubChem CID:	53273130
Reduced:	SN2O4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	7.43
IP(EA), eV:	-8.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC2=NC=C(S2)C3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations