Geometry & MOs

Info

ID:	166333
PubChem CID:	74671568
Reduced:	ClFO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	325.118616
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	6.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.116379
Charge, e:	1

Chem-info

IUPAC name:

[1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)C(CNC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)F

DOS

IR

Vibrations