Geometry & MOs

Info

ID:

414900

PubChem CID:

135087872

Reduced:

SN6O8C35H48 (1)

Stoich.:

AB6C8D35E48 (1)

Weight, g/mol:

382.146347

ΔHf, kcal/mol:

-347.42

Dipole, Da:

5.1

IP(EA), eV:

 -8.62(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(2-phenylethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CC4)C(C)C

DOS

IR

Vibrations