Geometry & MOs

Info

ID:	39467
PubChem CID:	8140900
Reduced:	OS2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	79.47
Dipole, Da:	6.36
IP(EA), eV:	-8.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-methyl-2-phenylpentanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=CSC(=N2)NC3=CC=C(C=C3)OC)C4CC4

DOS

IR

Vibrations