Geometry & MOs

Info

ID:	282485
PubChem CID:	103928645
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	320.117019
ΔH_f, kcal/mol:	-133.89
Dipole, Da:	3.04
IP(EA), eV:	-9.38(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3,3-dimethyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@@H](C(C)(C)C)N

DOS

IR

Vibrations