Geometry & MOs

Info

ID:	142237
PubChem CID:	53004680
Reduced:	ClSN3O4C20H22 (1)
Stoich.:	ABC3D4E20F22 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	5.66
IP(EA), eV:	-9.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-methylpropyl)amino]-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N(C)CCC2=NOC(=N2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations