Geometry & MOs

Info

ID:

229978

PubChem CID:

87569771

Reduced:

SN5O7C22H25 (1)

Stoich.:

AB5C7D22E25 (1)

Weight, g/mol:

591.195

ΔHf, kcal/mol:

-173.86

Dipole, Da:

6.57

IP(EA), eV:

 -9.98(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-dichloro-N-[(3R)-3-[4-[1-(1H-imidazol-5-yl)ethylcarbamoyl-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@H](CO2)CN3C=C(N=N3)C4=CC(=NC(=N4)C)C(=O)OC

DOS

IR

Vibrations