Geometry & MOs

Info

ID:	35099
PubChem CID:	7979303
Reduced:	SN2O5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	349.249118
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	4.6
IP(EA), eV:	-9.31(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(2-cyclohexylacetyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@@H](CS2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations