Geometry & MOs

Info

ID:	138403
PubChem CID:	52360965
Reduced:	ClFOSN2C17H20 (1)
Stoich.:	ABCDE2F17G20 (1)
Weight, g/mol:	355.104715
ΔH_f, kcal/mol:	-49.2
Dipole, Da:	3.62
IP(EA), eV:	-9.14(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)N(C)CC(=O)N(C)CC2=C(C=CC=C2Cl)F

DOS

IR

Vibrations