Geometry & MOs

Info

ID:	235428
PubChem CID:	92708840
Reduced:	FON3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	-37.23
Dipole, Da:	3.98
IP(EA), eV:	-8.12(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(4-acetylphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations