Geometry & MOs

Info

ID:	195593
PubChem CID:	78707235
Reduced:	ClSF2N2O4H13C15 (1)
Stoich.:	ABC2D2E4F13G15 (1)
Weight, g/mol:	374.153838
ΔH_f, kcal/mol:	-192.39
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NNS(=O)(=O)C1=C(C=C(C=C1)Cl)F)OC2=CC=C(C=C2)F

DOS

IR

Vibrations