Geometry & MOs

Info

ID:	128141
PubChem CID:	51032445
Reduced:	ClNO2F3C7H13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	549.262757
ΔH_f, kcal/mol:	-306.55
Dipole, Da:	2.46
IP(EA), eV:	-10.04(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[[2-[[2-[benzyl(methyl)amino]acetyl]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoic acid

Drug info:

PubChemData

Smile

C[C@](CCCC(F)(F)F)(C(=O)O)N.Cl

DOS

IR

Vibrations