Geometry & MOs

Info

ID:

325693

PubChem CID:

126684520

Reduced:

ClFNO4C21H23 (1)

Stoich.:

ABCD4E21F23 (1)

Weight, g/mol:

633.19633

ΔHf, kcal/mol:

-202.58

Dipole, Da:

3.27

IP(EA), eV:

 -9.43(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (4S)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-[(4-methylphenyl)sulfonyloxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

CCOC[C@H](C[C@@H](CC1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)F)NC=O)C(=O)O

DOS

IR

Vibrations