Geometry & MOs

Info

ID:	144603
PubChem CID:	53387984
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	423.150487
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	5.81
IP(EA), eV:	-9.6(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[2-(2-methoxyethoxy)ethoxy]-2-[[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC4=C(C=C3)NC(=O)O4.Cl

DOS

IR

Vibrations