Geometry & MOs

Info

ID:

417189

PubChem CID:

135091617

Reduced:

O5N7C37H45 (1)

Stoich.:

A5B7C37D45 (1)

Weight, g/mol:

306.115047

ΔHf, kcal/mol:

-161.41

Dipole, Da:

2.15

IP(EA), eV:

 -8.55(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)CN5C(=O)C6=CC=CC=C6C(=N5)C)C(C)C

DOS

IR

Vibrations