Geometry & MOs

Info

ID:	64140
PubChem CID:	29196328
Reduced:	FSN3O5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	374.13972
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	2.69
IP(EA), eV:	-9.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-chlorophenyl)methyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)NCCN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations