Geometry & MOs

Info

ID:	52514
PubChem CID:	12015398
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	6.55
IP(EA), eV:	-8.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-phenylpentan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)NC4=CC=C(C=C4)OC)N

DOS

IR

Vibrations