Geometry & MOs

Info

ID:	140763
PubChem CID:	52755379
Reduced:	SO2N3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	449.140927
ΔH_f, kcal/mol:	15.17
Dipole, Da:	4.06
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-oxo-1-[[(3S)-5-oxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]amino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CN(CCO1)CC2=CC=CC(=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

DOS

IR

Vibrations