Geometry & MOs

Info

ID:	129219
PubChem CID:	51071962
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	413.175084
ΔH_f, kcal/mol:	-153.22
Dipole, Da:	8.36
IP(EA), eV:	-9.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CO3

DOS

IR

Vibrations