Geometry & MOs

Info

ID:

167480

PubChem CID:

74834195

Reduced:

SN4O6C28H34 (1)

Stoich.:

AB4C6D28E34 (1)

Weight, g/mol:

622.282506

ΔHf, kcal/mol:

-119.35

Dipole, Da:

6.34

IP(EA), eV:

 -9.22(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[[cyclopentyl(phenyl)methylidene]amino]oxy-N-cyclopropylsulfonyl-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadeca-7,15-diene-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCCC=CC2CC2(NC(=O)C3CC(C=C3C1=O)ON=CC4=CC=CC=C4)C(=O)NS(=O)(=O)C5CC5

DOS

IR

Vibrations