Geometry & MOs

Info

ID:	136131
PubChem CID:	51985167
Reduced:	SN4O4H16C20 (1)
Stoich.:	AB4C4D16E20 (1)
Weight, g/mol:	396.093249
ΔH_f, kcal/mol:	-48.85
Dipole, Da:	8.33
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC=N4

DOS

IR

Vibrations