Geometry & MOs

Info

ID:	242867
PubChem CID:	99213503
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	408.111934
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	5.05
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)[C@H]3CC(=O)N(C3)C4CCCC4

DOS

IR

Vibrations