Geometry & MOs

Info

ID:	199134
PubChem CID:	79203242
Reduced:	ClNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	315.071134
ΔH_f, kcal/mol:	-175.01
Dipole, Da:	4.4
IP(EA), eV:	-9.49(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-amino-2-sulfanylideneethyl)phenyl]sulfonylamino]-2-methylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCCO

DOS

IR

Vibrations