Geometry & MOs

Info

ID:	155838
PubChem CID:	56367754
Reduced:	ClSF2N3O3H12C17 (1)
Stoich.:	ABC2D3E3F12G17 (1)
Weight, g/mol:	444.032239
ΔH_f, kcal/mol:	-88.89
Dipole, Da:	7.52
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)SC(F)F)NC(=O)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations