Geometry & MOs

Info

ID:	137683
PubChem CID:	52243908
Reduced:	SF2N2O3C19H24 (1)
Stoich.:	AB2C2D3E19F24 (1)
Weight, g/mol:	400.204788
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	4.33
IP(EA), eV:	-8.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-methylazanium

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN(C)CC(=O)N(C)CC2=CSC=C2)OC(F)F

DOS

IR

Vibrations