Geometry & MOs

Info

ID:	139785
PubChem CID:	52595240
Reduced:	SO3N4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	371.208316
ΔH_f, kcal/mol:	-63.13
Dipole, Da:	2.93
IP(EA), eV:	-8.72(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[(4-acetamidophenyl)carbamoylamino]-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC(=O)NC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations