Geometry & MOs

Info

ID:	427402
PubChem CID:	135158367
Reduced:	N3O5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	483.278487
ΔH_f, kcal/mol:	-210.85
Dipole, Da:	8.19
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-3-ethyl-4-methylpyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1OC(=O)NCCCCC(C2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations