Geometry & MOs

Info

ID:	129146
PubChem CID:	51071462
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	489.33667
ΔH_f, kcal/mol:	-126.37
Dipole, Da:	2.32
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-tetradecanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)COC2=CC=CC=C2)C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations