Geometry & MOs

Info

ID:

308101

PubChem CID:

125316935

Reduced:

N3O4C25H27 (1)

Stoich.:

A3B4C25D27 (1)

Weight, g/mol:

487.221954

ΔHf, kcal/mol:

-59.35

Dipole, Da:

5.9

IP(EA), eV:

 -8.95(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2R)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-9,11,13,15-tetraen-4-yl]-N-(2-morpholin-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1[C@H](N(C=C(C1=O)OCC2=CC=CC=C2)CC(=O)NCCC3=C4C=CC=CC4=NC3)CO

DOS

IR

Vibrations