Geometry & MOs

Info

ID:

219752

PubChem CID:

85164828

Reduced:

Cl2N3O7C27H41 (1)

Stoich.:

A2B3C7D27E41 (1)

Weight, g/mol:

590.203759

ΔHf, kcal/mol:

-367.34

Dipole, Da:

2.01

IP(EA), eV:

 -9.64(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-(carboxymethyl)tetrazol-5-yl]-2-[[4-[(2,7-dimethyl-4-oxo-4aH-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)(Cl)Cl

DOS

IR

Vibrations