Geometry & MOs

Info

ID:

215189

PubChem CID:

85084339

Reduced:

BrNSi2O4C40H52 (1)

Stoich.:

ABC2D4E40F52 (1)

Weight, g/mol:

746.436698

ΔHf, kcal/mol:

-166.79

Dipole, Da:

6.44

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[1-[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]piperidine-2-carbonyl]piperidine-2-carbonyl]-methylamino]-3-phenylpropanoyl]-methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1CCC=C(C1OC2=C(C=CC(=C2Br)C=CC#N)OC)CCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations