Geometry & MOs

Info

ID:

219776

PubChem CID:

85164885

Reduced:

SN4O12C24H28 (1)

Stoich.:

AB4C12D24E28 (1)

Weight, g/mol:

596.204668

ΔHf, kcal/mol:

-279.48

Dipole, Da:

6.45

IP(EA), eV:

 -10.08(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-ethyl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-phenyl-6-[4-(trifluoromethoxy)phenyl]-3,5,10-triazatricyclo[6.3.0.01,5]undecane-10-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(CCNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations