Geometry & MOs

Info

ID:

168140

PubChem CID:

74928783

Reduced:

O15N16C49H70 (1)

Stoich.:

A15B16C49D70 (1)

Weight, g/mol:

466.125023

ΔHf, kcal/mol:

-637.46

Dipole, Da:

24.83

IP(EA), eV:

 -8.05(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-benzoyloxy-5-fluoro-2-[(4-methylphenyl)sulfanylmethyl]oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N)O

DOS

IR

Vibrations