Geometry & MOs

Info

ID:	314909
PubChem CID:	126623956
Reduced:	O3N4H12C17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	504.05569
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	7.01
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[(6-bromopyridin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(furan-2-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC3=C(C=C2)N(N=C3C(=O)N)CC(=O)O)C#N

DOS

IR

Vibrations