Geometry & MOs

Info

ID:	297931
PubChem CID:	117636513
Reduced:	O3F4N5H21C26 (1)
Stoich.:	A3B4C5D21E26 (1)
Weight, g/mol:	327.183444
ΔH_f, kcal/mol:	-201.01
Dipole, Da:	9.89
IP(EA), eV:	-8.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-hydroxyethyl]-5-phenyl-N-phenylmethoxypentanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(N=C3)N(CC4)C(=O)CC5=CC(=CC(=C5)F)C(F)(F)F)OC

DOS

IR

Vibrations