Geometry & MOs

Info

ID:

45132

PubChem CID:

10508231

Reduced:

NSSiO5C36H43 (1)

Stoich.:

ABCD5E36F43 (1)

Weight, g/mol:

630.30783

ΔHf, kcal/mol:

-198.24

Dipole, Da:

8.17

IP(EA), eV:

 -8.95(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-amino-2-[[(2S)-3-[4-(diaminomethylideneamino)phenyl]-2-[[(2S)-3-(4-fluorophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]propanoyl]amino]pentanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

DOS

IR

Vibrations