Geometry & MOs

Info

ID:	121572
PubChem CID:	50773703
Reduced:	SF2N2O2H12C17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	455.9755
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	7.86
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)SCC(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations