Geometry & MOs

Info

ID:	394235
PubChem CID:	135022570
Reduced:	NO2F3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	450.176642
ΔH_f, kcal/mol:	-270.36
Dipole, Da:	2.67
IP(EA), eV:	-9.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-3-[4-(1-acetamido-3,3,3-trifluoropropyl)phenyl]-2-benzamidopropanoate

Drug info:

PubChemData

Smile

CC(=O)NC(CC(F)(F)F)C1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C

DOS

IR

Vibrations