Geometry & MOs

Info

ID:	143863
PubChem CID:	53271946
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	366.016053
ΔH_f, kcal/mol:	-6.44
Dipole, Da:	3.51
IP(EA), eV:	-8.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C(S2)CNCC3CC3)OC

DOS

IR

Vibrations