Geometry & MOs

Info

ID:	138048
PubChem CID:	52303648
Reduced:	ClSN2F3O3C16H16 (1)
Stoich.:	ABC2D3E3F16G16 (1)
Weight, g/mol:	437.255266
ΔH_f, kcal/mol:	-253.79
Dipole, Da:	5.86
IP(EA), eV:	-8.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-2-(4-methylpiperidin-1-yl)-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)C[C@](C2=NC(=CS2)C)(C(F)(F)F)O

DOS

IR

Vibrations