Geometry & MOs

Info

ID:

149014

PubChem CID:

53788685

Reduced:

NOC28H47 (1)

Stoich.:

ABC28D47 (1)

Weight, g/mol:

574.004597

ΔHf, kcal/mol:

-103.13

Dipole, Da:

4.2

IP(EA), eV:

 -8.44(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[4-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenoxy]phenyl]-2,3-dichloro-2-(dichloroamino)propanoic acid

Drug info:

PubChemData

Smile

CC1C=C2[C@](CCC(=O)N2C)([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCCC(C)C)C

DOS

IR

Vibrations