Geometry & MOs

Info

ID:

19927

PubChem CID:

575182

Reduced:

N4O5C31H42 (1)

Stoich.:

A4B5C31D42 (1)

Weight, g/mol:

550.31552

ΔHf, kcal/mol:

-159.97

Dipole, Da:

5.97

IP(EA), eV:

 -8.56(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(7-benzoyl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-trien-4-yl)-2-(dimethylamino)-3-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC1C(OC2=CC=C(CCNC(=O)C(NC1=O)C(=O)C3=CC=CC=C3)C=C2)C(C)C)N(C)C

DOS

IR

Vibrations