Geometry & MOs

Info

ID:	328441
PubChem CID:	126723080
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	401.098726
ΔH_f, kcal/mol:	-152.38
Dipole, Da:	4.14
IP(EA), eV:	-10.13(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-cyanophenoxy)methyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxybut-3-enamide

Drug info:

PubChemData

Smile

C[C@H](C[C@H]1CC[C@H]2C3(O1)C[C@@H](O2)[C@@H](C=C3)OC(=O)C)C#N

DOS

IR

Vibrations