Geometry & MOs

Info

ID:	322932
PubChem CID:	126671605
Reduced:	N2O4C7H8 (1)
Stoich.:	A2B4C7D8 (1)
Weight, g/mol:	528.277027
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	4.28
IP(EA), eV:	-9.82(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=O)N(C1=O)CCC(=O)NO

DOS

IR

Vibrations