Geometry & MOs

Info

ID:	195020
PubChem CID:	78622089
Reduced:	FNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	8.76
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations