Geometry & MOs

Info

ID:	138816
PubChem CID:	52430349
Reduced:	ClSN2O5C22H27 (1)
Stoich.:	ABC2D5E22F27 (1)
Weight, g/mol:	360.129634
ΔH_f, kcal/mol:	-178.36
Dipole, Da:	8.03
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)OC[C@@H]3CCCO3)Cl

DOS

IR

Vibrations