Geometry & MOs

Info

ID:

335541

PubChem CID:

127254403

Reduced:

FNO5H28C36 (1)

Stoich.:

ABC5D28E36 (1)

Weight, g/mol:

358.147742

ΔHf, kcal/mol:

-43.27

Dipole, Da:

5.82

IP(EA), eV:

 -8.87(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC(=CC=C7)OC

DOS

IR

Vibrations