Geometry & MOs

Info

ID:	242865
PubChem CID:	99213497
Reduced:	SO3N4H26C27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	26.8
Dipole, Da:	2.55
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC2=CC=CC=C2O1)C(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CO5

DOS

IR

Vibrations