Geometry & MOs

Info

ID:

335756

PubChem CID:

127254618

Reduced:

N2O5H28C35 (1)

Stoich.:

A2B5C28D35 (1)

Weight, g/mol:

410.254258

ΔHf, kcal/mol:

-0.08

Dipole, Da:

6.96

IP(EA), eV:

 -8.41(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexyl]methyl]pentanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)OC

DOS

IR

Vibrations