Geometry & MOs

Info

ID:

47432

PubChem CID:

10532640

Reduced:

BrSi3N4O4C29H55 (1)

Stoich.:

AB3C4D4E29F55 (1)

Weight, g/mol:

688.360102

ΔHf, kcal/mol:

-314.16

Dipole, Da:

2.67

IP(EA), eV:

 -8.46(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2-acetamido-3-[[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]butan-2-yl]amino]-3-oxopropyl]phenyl] ditert-butyl phosphate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2C(=CN=C3N)Br)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations