Geometry & MOs

Info

ID:	65075
PubChem CID:	29204431
Reduced:	SN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-35.44
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.956703
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)CON=C2C3=CC=CC=C3S(=O)(=O)[N-]2

DOS

IR

Vibrations