Geometry & MOs

Info

ID:

44916

PubChem CID:

10506512

Reduced:

BrNO7C25H30 (1)

Stoich.:

ABC7D25E30 (1)

Weight, g/mol:

536.219237

ΔHf, kcal/mol:

-216.45

Dipole, Da:

3.26

IP(EA), eV:

 -8.88(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@]34[C@H]1CC[C@](O[C@H]3O[C@@H](C2(C)Br)OCCN5C(=O)C6=CC=CC=C6C5=O)(OO4)C

DOS

IR

Vibrations