Geometry & MOs

Info

ID:	313459
PubChem CID:	126614837
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	470.187543
ΔH_f, kcal/mol:	13.56
Dipole, Da:	2.62
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-butoxyphenyl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=C)CCN1N=C(C(=N1)/C=C\C)C=C

DOS

IR

Vibrations