Geometry & MOs

Info

ID:

84957

PubChem CID:

49870927

Reduced:

N5O5C31H47 (1)

Stoich.:

A5B5C31D47 (1)

Weight, g/mol:

566.239001

ΔHf, kcal/mol:

-222.09

Dipole, Da:

6.92

IP(EA), eV:

 -8.63(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-4-phenyl-3-[[5-propyl-1-[[5-[2-(2H-tetrazol-5-yl)phenyl]pyridin-2-yl]methyl]pyrazole-3-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOC4=CC=CC=C34)C(=O)[C@H](C5CCCCC5)NC(=O)[C@H](C)NC

DOS

IR

Vibrations