Geometry & MOs

Info

ID:	227579
PubChem CID:	87562030
Reduced:	ClLiSO3H5C6 (1)
Stoich.:	ABCD3E5F6 (1)
Weight, g/mol:	236.09277
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	6.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990467
Charge, e:	0

Chem-info

IUPAC name:

[1-[carbonochloridoyl(methyl)amino]-3,3-dimethylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

[Li].C1=CC=C(C(=C1)S(=O)(=O)O)Cl

DOS

IR

Vibrations