Geometry & MOs

Info

ID:	121574
PubChem CID:	50773770
Reduced:	BrClSN2O2F3H11C18 (1)
Stoich.:	ABCD2E2F3G11H18 (1)
Weight, g/mol:	451.9597
ΔH_f, kcal/mol:	-161.99
Dipole, Da:	5.11
IP(EA), eV:	-9.24(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(O2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)Br

DOS

IR

Vibrations