Geometry & MOs

Info

ID:	187643
PubChem CID:	77602490
Reduced:	N3O4H7C9 (1)
Stoich.:	A3B4C7D9 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	9.31
IP(EA), eV:	-10.87(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[6-propyl-5-(3-pyridin-2-ylpyrrolidine-1-carbonyl)-3-sulfanylpyridin-2-yl]piperidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC2=NC(=O)N(C(=O)C2N=C1)CC(=O)O

DOS

IR

Vibrations