Geometry & MOs

Info

ID:	200327
PubChem CID:	79376448
Reduced:	FOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	298.058755
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	6.34
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(difluoromethoxy)anilino]-3-methyl-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)C)NCC2=CC(=CC=C2)F

DOS

IR

Vibrations