Geometry & MOs

Info

ID:	150753
PubChem CID:	53790449
Reduced:	SN2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	561.227514
ΔH_f, kcal/mol:	48.17
Dipole, Da:	0.98
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-carbamoylphenyl)-1-[2-(2,6-diethyl-4-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CSC2=CC(=NN21)C

DOS

IR

Vibrations