Geometry & MOs

Info

ID:	175082
PubChem CID:	75853054
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	319.121331
ΔH_f, kcal/mol:	20.33
Dipole, Da:	0.83
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(5-chloro-2-hydroxybenzoyl)amino]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CNCC2=CSC=N2)N3CCCC3

DOS

IR

Vibrations