Geometry & MOs

Info

ID:	307360
PubChem CID:	125299680
Reduced:	BrFOSN4H18C22 (1)
Stoich.:	ABCDE4F18G22 (1)
Weight, g/mol:	371.083683
ΔH_f, kcal/mol:	44.55
Dipole, Da:	5.01
IP(EA), eV:	-9.05(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-benzyl-5-oxopyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C3=NC(=O)[C@@H]4C(=N3)C(=CS4)C5=CC=C(C=C5)Br

DOS

IR

Vibrations