Geometry & MOs

Info

ID:	69110
PubChem CID:	46518849
Reduced:	BrSN2O4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	5.48
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(1-phenylbutyl)-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Br)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations