Geometry & MOs

Info

ID:	312035
PubChem CID:	126602127
Reduced:	SN4O6C24H32 (1)
Stoich.:	AB4C6D24E32 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-244.84
Dipole, Da:	3.7
IP(EA), eV:	-9.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@@H](CO)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)O)O

DOS

IR

Vibrations