Geometry & MOs

Info

ID:	68323
PubChem CID:	46508190
Reduced:	SN2O2F3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	406.055419
ΔH_f, kcal/mol:	-141.4
Dipole, Da:	3.27
IP(EA), eV:	-9.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)F)F)SC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations