Geometry & MOs

Info

ID:	138392
PubChem CID:	52358643
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	377.153503
ΔH_f, kcal/mol:	-112.15
Dipole, Da:	2.21
IP(EA), eV:	-8.76(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(3-methoxyphenyl)-2-[(4-methylsulfonylbenzoyl)amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC[C@@H](C3=CC=CO3)N(C)C

DOS

IR

Vibrations