Geometry & MOs

Info

ID:

44785

PubChem CID:

10505946

Reduced:

OSiC34H60 (1)

Stoich.:

ABC34D60 (1)

Weight, g/mol:

513.2475

ΔHf, kcal/mol:

-175.48

Dipole, Da:

1.59

IP(EA), eV:

 -8.66(0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-(4-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(CCC[C@@H]1O[Si](C)(C)C(C)(C)C)/C(=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C

DOS

IR

Vibrations