Geometry & MOs

Info

ID:

327254

PubChem CID:

126689345

Reduced:

FSN4O5C21H23 (1)

Stoich.:

ABC4D5E21F23 (1)

Weight, g/mol:

510.113997

ΔHf, kcal/mol:

-96.1

Dipole, Da:

2.9

IP(EA), eV:

 -9.07(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-[7-[4-[(1R,2R)-2-(aminomethyl)cyclopropyl]buta-1,3-diynyl]-6-fluoro-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(CCN1C=NC2=C(C1=O)C=C(C(=C2)C#CC#CCN(C)C)F)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations