Geometry & MOs

Info

ID:	129206
PubChem CID:	51071938
Reduced:	FN3O3C23H24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	413.175084
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	7.44
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations