Geometry & MOs

Info

ID:

308105

PubChem CID:

125316952

Reduced:

N4O4C35H38 (1)

Stoich.:

A4B4C35D38 (1)

Weight, g/mol:

494.195405

ΔHf, kcal/mol:

-44.67

Dipole, Da:

2.57

IP(EA), eV:

 -8.31(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-4-[(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]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H]2[C@H]3C(=C4C=CC=CC4=N3)C[C@@H]5N2C(=O)CN(C5=O)C6CCN(CC6)CC7=CC=CC=C7)OC

DOS

IR

Vibrations