Geometry & MOs

Info

ID:	242916
PubChem CID:	99214152
Reduced:	ClSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	450.141342
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	3.95
IP(EA), eV:	-9.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dioxopyrrolidin-1-yl)-N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCN(C[C@@H](C)C#N)C(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations