Geometry & MOs

Info

ID:	309378
PubChem CID:	126545814
Reduced:	ClSN4O6C24H31 (1)
Stoich.:	ABC4D6E24F31 (1)
Weight, g/mol:	438.112854
ΔH_f, kcal/mol:	-224.39
Dipole, Da:	4.99
IP(EA), eV:	-9.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3-chloro-N-(4-methylpiperazin-1-yl)sulfonylanilino)methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C(=O)OC(C)(C)C)S(=O)(=O)N(CC2=NC=C(C=C2)C(=O)OC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations