Geometry & MOs

Info

ID:	228890
PubChem CID:	87566113
Reduced:	ClN2O3F7H24C26 (1)
Stoich.:	AB2C3D7E24F26 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-469.52
Dipole, Da:	6.82
IP(EA), eV:	-9.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-hydroxy-2-[(4-methoxyphenyl)methyl]-4-methyl-5-phenylpentanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)N)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)OC(F)F)OC(F)F.Cl

DOS

IR

Vibrations