Geometry & MOs

Info

ID:	195015
PubChem CID:	78622080
Reduced:	FNSO3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-151.87
Dipole, Da:	6.76
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropylethylamino)-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)NCCC3=CC=CC=C3F

DOS

IR

Vibrations