Geometry & MOs

Info

ID:	121277
PubChem CID:	50761481
Reduced:	ClOSF2N3H10C16 (1)
Stoich.:	ABCD2E3F10G16 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	2.84
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[4-amino-5-(4-methylbenzoyl)-1,3-thiazol-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=C(N=C(S2)NC3=CC(=C(C=C3)F)Cl)N)F

DOS

IR

Vibrations