Geometry & MOs

Info

ID:	39302
PubChem CID:	8140134
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	400.205873
ΔH_f, kcal/mol:	-125.23
Dipole, Da:	5.19
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(2S)-2-benzamido-4-methylsulfanylbutanoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations