Geometry & MOs

Info

ID:	61592
PubChem CID:	26710821
Reduced:	F2N3O3S3C21H21 (1)
Stoich.:	A2B3C3D3E21F21 (1)
Weight, g/mol:	431.052897
ΔH_f, kcal/mol:	-140.32
Dipole, Da:	3.94
IP(EA), eV:	-8.96(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-chlorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(S2)CNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations