Geometry & MOs

Info

ID:	36891
PubChem CID:	8014333
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	388.011841
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	3.55
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C4=C(S3)C[C@H](CC4)C)C(=O)N2

DOS

IR

Vibrations