Geometry & MOs

Info

ID:	435645
PubChem CID:	135192049
Reduced:	FNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-69.67
Dipole, Da:	3.69
IP(EA), eV:	-9.55(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-(2-amino-4-chlorophenyl)-4-oxopentan-3-yl]-5-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/CC1=CC=CC=C1F)\C=C(/C(C)C)\C(=O)N

DOS

IR

Vibrations