Geometry & MOs

Info

ID:	122412
PubChem CID:	50805437
Reduced:	BrSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	366.05791
ΔH_f, kcal/mol:	24.36
Dipole, Da:	2.11
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-(3-ethoxypropyl)-5-methyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)NCC3=CC=CS3

DOS

IR

Vibrations