Geometry & MOs

Info

ID:	244333
PubChem CID:	99344071
Reduced:	OF3N4H17C23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	4.33
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-4-methylsulfanyl-1-oxo-1-[[1-(pyridin-4-ylmethyl)pyrazol-4-yl]amino]butan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CN(N=C3)CC4=CC=NC=C4

DOS

IR

Vibrations