Geometry & MOs

Info

ID:

180221

PubChem CID:

76601515

Reduced:

SCl3N4O12C39H43 (1)

Stoich.:

AB3C4D12E39F43 (1)

Weight, g/mol:

566.18973

ΔHf, kcal/mol:

-371.72

Dipole, Da:

5.99

IP(EA), eV:

 -8.72(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

carbanide;18-methanidyl-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid;yttrium

Drug info:

PubChemData

Smile

CC1=CC2=C(C3C4C(C5=C(C(N4C(C(C2)N3C(=O)OCC=C)C#N)COC(=O)C(CSC)NC(=O)OCC(Cl)(Cl)Cl)C6=C(C(=C5O)C)OCO6)O)C(=C1OC)OCC=C

DOS

IR

Vibrations