Geometry & MOs

Info

ID:	150299
PubChem CID:	53789987
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	590.326834
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	2.48
IP(EA), eV:	-9.14(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(4-fluoro-N-heptan-4-yl-3-methylanilino)-2-oxoethyl]-2-(2-imidazol-1-ylethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)ON=C(C#N)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations