Geometry & MOs

Info

ID:	157559
PubChem CID:	56435697
Reduced:	F3N3O3C20H22 (1)
Stoich.:	A3B3C3D20E22 (1)
Weight, g/mol:	457.251147
ΔH_f, kcal/mol:	-249.23
Dipole, Da:	4.95
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NC2=CN=C(C=C2)OCC(F)(F)F

DOS

IR

Vibrations