Geometry & MOs

Info

ID:

442292

PubChem CID:

135251046

Reduced:

ClNSF2O7H24C26 (1)

Stoich.:

ABCD2E7F24G26 (1)

Weight, g/mol:

545.08305

ΔHf, kcal/mol:

-305.49

Dipole, Da:

2.44

IP(EA), eV:

 -8.58(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(2S)-6-[(E)-2-(2,6-dichlorophenyl)prop-1-enyl]-4-(3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](N(C2=C(O1)C=CC(=C2)OCC3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC(=C(C=C4)F)OC)C

DOS

IR

Vibrations