Geometry & MOs

Info

ID:

188382

PubChem CID:

77707708

Reduced:

SiN3O5C20H36 (2)

Stoich.:

AB3C5D20E36 (2)

Weight, g/mol:

794.447932

ΔHf, kcal/mol:

-566.97

Dipole, Da:

4.92

IP(EA), eV:

 -8.79(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,4-dihydroxy-5-[2-[[methyl-[(3-methylpyridin-2-yl)methyl]carbamoyl]amino]butanoylamino]-1,6-diphenylhexan-2-yl]-2-[[methyl-[(3-methylpyridin-2-yl)methyl]carbamoyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(C(OC1C(C(C(=O)O)NCCCNC(=O)C(CCCCN)N)O)N2CCC(=O)N(C2=O)CC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations