Geometry & MOs

Info

ID:	39536
PubChem CID:	8141235
Reduced:	SF2N3O3H13C18 (1)
Stoich.:	AB2C3D3E13F18 (1)
Weight, g/mol:	404.10062
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	5.12
IP(EA), eV:	-8.99(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)CC2=CC=CC=C2[N+](=O)[O-])C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations