Geometry & MOs

Info

ID:	121573
PubChem CID:	50773731
Reduced:	BrSN2O2F3H12C18 (1)
Stoich.:	ABC2D2E3F12G18 (1)
Weight, g/mol:	489.93652
ΔH_f, kcal/mol:	-151.59
Dipole, Da:	6.04
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-bromophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)Br)C(F)(F)F

DOS

IR

Vibrations