Geometry & MOs

Info

ID:

442291

PubChem CID:

135251043

Reduced:

O11H34C41 (1)

Stoich.:

A11B34C41 (1)

Weight, g/mol:

567.093007

ΔHf, kcal/mol:

-249.67

Dipole, Da:

5.94

IP(EA), eV:

 -9.54(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,3R)-6-[(2-chloro-6-fluorophenyl)methoxy]-4-(4-fluoro-3-methoxyphenyl)sulfonyl-3-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COOC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations