Geometry & MOs

Info

ID:

422339

PubChem CID:

135117664

Reduced:

N7O8C35H49 (1)

Stoich.:

A7B8C35D49 (1)

Weight, g/mol:

343.189592

ΔHf, kcal/mol:

-307.87

Dipole, Da:

7.48

IP(EA), eV:

 -9.55(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[cyclopentyl(methyl)amino]propylamino]-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=NOC(=C4)C(C)C)O

DOS

IR

Vibrations