Geometry & MOs

Info

ID:	312038
PubChem CID:	126602131
Reduced:	SN2O5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	315.140533
ΔH_f, kcal/mol:	-231.91
Dipole, Da:	4.39
IP(EA), eV:	-9.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@]2(CCNC2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations