Geometry & MOs

Info

ID:	395746
PubChem CID:	135026448
Reduced:	OH7C11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	293.05105
ΔH_f, kcal/mol:	25.76
Dipole, Da:	1.33
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-benzothiophen-2-yl)-4-isocyanobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C3C4=C(C=C(C=C4)C=O)[C@@H](C2=C1)C5=C3C=C(C=C5)C=O

DOS

IR

Vibrations