Geometry & MOs

Info

ID:	244297
PubChem CID:	99319726
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	446.157661
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	1.92
IP(EA), eV:	-8.4(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OCC(=C2)C(=O)N[C@H](C)C3=C(N(N=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations