Geometry & MOs

Info

ID:	309390
PubChem CID:	126545902
Reduced:	SN4O6C25H34 (1)
Stoich.:	AB4C6D25E34 (1)
Weight, g/mol:	460.178041
ΔH_f, kcal/mol:	-220.51
Dipole, Da:	2.08
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3-methyl-N-[4-(oxetan-3-yl)piperazin-1-yl]sulfonylanilino)methyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1C(=O)OC(C)(C)C)C)S(=O)(=O)N(CC2=NC=C(C=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations