Geometry & MOs

Info

ID:

230610

PubChem CID:

87571478

Reduced:

SCl2O4N5C23H31 (1)

Stoich.:

AB2C4D5E23F31 (1)

Weight, g/mol:

542.139556

ΔHf, kcal/mol:

-46.19

Dipole, Da:

4.95

IP(EA), eV:

 -8.84(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-N-oxidopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)[NH+](CC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)[O-])Cl)Cl

DOS

IR

Vibrations