Geometry & MOs

Info

ID:	323044
PubChem CID:	126671890
Reduced:	ON2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	4.52
Dipole, Da:	1.41
IP(EA), eV:	-8.21(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-hydroxy-4-methyl-2-oxopentan-3-yl]-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)COC5CCCC5

DOS

IR

Vibrations