Geometry & MOs

Info

ID:	396773
PubChem CID:	135029180
Reduced:	NO4H19C29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	421.077265
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	3.18
IP(EA), eV:	-8.59(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1-benzothiophen-3-yl)naphthalene-2-carbonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C3=C(C=CC4=CC=CC=C43)C(=O)N5C6=CC=CC=C6OC5=O

DOS

IR

Vibrations