Geometry & MOs

Info

ID:	121276
PubChem CID:	50761464
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	365.020117
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	3.46
IP(EA), eV:	-8.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2-(3-chloro-4-fluoroanilino)-1,3-thiazol-5-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)C2=C(N=C(S2)NC3=CC(=CC(=C3)OC)OC)N

DOS

IR

Vibrations