Geometry & MOs

Info

ID:	35095
PubChem CID:	7979299
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	349.249118
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	2.26
IP(EA), eV:	-9.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations