Geometry & MOs

Info

ID:	33603
PubChem CID:	7887137
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	311.061614
ΔH_f, kcal/mol:	-103.35
Dipole, Da:	3.52
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl) 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations