Geometry & MOs

Info

ID:

215308

PubChem CID:

85084525

Reduced:

SSiN2F3O10C38H47 (1)

Stoich.:

ABC2D3E10F38G47 (1)

Weight, g/mol:

806.357403

ΔHf, kcal/mol:

-588.15

Dipole, Da:

2.34

IP(EA), eV:

 -8.74(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-[(4-aminopiperidine-4-carbonyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1-benzothiophen-3-yl)propanoyl]amino]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O[Si](C(C)C)(C(C)C)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations