Geometry & MOs

Info

ID:	143229
PubChem CID:	53168445
Reduced:	SN4O4C19H24 (1)
Stoich.:	AB4C4D19E24 (1)
Weight, g/mol:	312.073262
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	4.56
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(3-fluorophenyl)-1,2-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)C3=NC(=C(O3)C)C(=O)N4CCSCC4

DOS

IR

Vibrations