Geometry & MOs

Info

ID:	447093
PubChem CID:	135280251
Reduced:	S2N4O9C48H54 (1)
Stoich.:	A2B4C9D48E54 (1)
Weight, g/mol:	183.997634
ΔH_f, kcal/mol:	-296.29
Dipole, Da:	14.76
IP(EA), eV:	-8.02(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfamoylethylcarbamothioic S-acid

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C(=C1C)NC2=CC3=C(C=C2)C(=C4C=C(C(=NC5=C(C=C(C(=C5C)NC(=O)CCC(C)C)C)C)C=C4O3)S(=O)(=O)O)C6=CC=CC=C6S(=O)(=O)O)C)C

DOS

IR

Vibrations