Geometry & MOs

Info

ID:	416121
PubChem CID:	135089129
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	11.66
Dipole, Da:	2.18
IP(EA), eV:	-9.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(3-hydroxy-3-phenylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4COC[C@H]4CC5=CC=NC=C5

DOS

IR

Vibrations