Geometry & MOs

Info

ID:

168458

PubChem CID:

74970898

Reduced:

SCl2N2O6C25H30 (1)

Stoich.:

AB2C2D6E25F30 (1)

Weight, g/mol:

601.42032

ΔHf, kcal/mol:

-246.39

Dipole, Da:

3.5

IP(EA), eV:

 -8.96(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclohexyl-3-[[2-(8,11-dioxo-10-propan-2-yl-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-13-yl)-2-hydroxyethyl]-(3-methylbutyl)amino]urea

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC(=CC=C3)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations