Geometry & MOs

Info

ID:	37850
PubChem CID:	8025102
Reduced:	S2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	354.086056
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	0.92
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenyl-1,3-thiazol-4-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CO1)SCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations