Geometry & MOs

Info

ID:

234186

PubChem CID:

92297887

Reduced:

FSO3N7C26H26 (1)

Stoich.:

ABC3D7E26F26 (1)

Weight, g/mol:

535.180187

ΔHf, kcal/mol:

-4.78

Dipole, Da:

3.23

IP(EA), eV:

 -9.7(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)[C@@H](C2=CC=NC=C2)N(CC3=CC=CS3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations