Geometry & MOs

Info

ID:

214585

PubChem CID:

85083234

Reduced:

SO5N7C26H31 (1)

Stoich.:

AB5C7D26E31 (1)

Weight, g/mol:

553.257671

ΔHf, kcal/mol:

-117.56

Dipole, Da:

9.86

IP(EA), eV:

 -8.87(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(1-adamantyloxyiminomethyl)-20-ethyl-20-(hydroxymethyl)-17-oxa-3,13-diazapentacyclo[11.9.0.02,11.04,9.015,21]docosa-1(22),2,4,6,8,10,15(21)-heptaene-14,18-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)C2=CC3=C(C=C2)C=NN3CCCNC4=NC=CN4)C(=O)O)C

DOS

IR

Vibrations