Geometry & MOs

Info

ID:

49675

PubChem CID:

11533518

Reduced:

O3N6H26C29 (1)

Stoich.:

A3B6C26D29 (1)

Weight, g/mol:

506.231791

ΔHf, kcal/mol:

7.04

Dipole, Da:

4.08

IP(EA), eV:

 -9.02(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,12S)-N-[(E)-2,3-dihydroinden-1-ylideneamino]-11-morpholin-4-yl-9-phenyl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraene-12-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CN=CC(=C2)C3=CN4C=CN=C4C(=N3)NC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations