Geometry & MOs

Info

ID:	144273
PubChem CID:	53340994
Reduced:	NF3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-252.21
Dipole, Da:	3.75
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-(4-methylphenyl)acetyl]amino]-4-[4-(trifluoromethyl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(=O)N[C@@H](CC3=CC=C(C=C3)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations