Geometry & MOs

Info

ID:	237239
PubChem CID:	92717988
Reduced:	ClSN2O4C21H23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	488.07844
ΔH_f, kcal/mol:	-170.99
Dipole, Da:	2.2
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

DOS

IR

Vibrations