Geometry & MOs

Info

ID:	311893
PubChem CID:	126598971
Reduced:	N2F3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	515.166805
ΔH_f, kcal/mol:	-263.2
Dipole, Da:	0.81
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]benzoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CN=C(C=C2)NCC3=CC(=CC=C3)OC(F)(F)F)CCC(=O)OC

DOS

IR

Vibrations