Geometry & MOs

Info

ID:

225283

PubChem CID:

85753050

Reduced:

OSiC15H18 (1)

Stoich.:

ABC15D18 (1)

Weight, g/mol:

764.454474

ΔHf, kcal/mol:

14.76

Dipole, Da:

3.0

IP(EA), eV:

-9.61(-0.36)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[6-amino-2-[(2-amino-3-methylbutanoyl)amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

C=C[Si](CCC(=O)C1=CC=CC=C1)(C=C)C=C

DOS

IR

Vibrations