Geometry & MOs

Info

ID:

188005

PubChem CID:

77653315

Reduced:

SN3O5C27H35 (1)

Stoich.:

AB3C5D27E35 (1)

Weight, g/mol:

673.197312

ΔHf, kcal/mol:

-140.66

Dipole, Da:

1.95

IP(EA), eV:

 -8.47(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-5-oxo-7H-imidazo[1,5-c]imidazol-3-yl]methyl 2-acetamido-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)CCCCOC45C=CC=CC4C(=O)CO5)O

DOS

IR

Vibrations