Geometry & MOs

Info

ID:	129201
PubChem CID:	51071925
Reduced:	FN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	425.21147
ΔH_f, kcal/mol:	-185.08
Dipole, Da:	2.97
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations