Geometry & MOs

Info

ID:	189202
PubChem CID:	77825754
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-177.15
Dipole, Da:	3.83
IP(EA), eV:	-8.94(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydrothiophen-5-yl)ethylamino]-2,3-dihydroxy-4-oxobutanoyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC(C(=O)NCCC2=CCCO2)O

DOS

IR

Vibrations