Geometry & MOs

Info

ID:	26937
PubChem CID:	804549
Reduced:	ClFNO2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	218.051384
ΔH_f, kcal/mol:	-94.84
Dipole, Da:	3.98
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-1,3-thiazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations