Geometry & MOs

Info

ID:

222836

PubChem CID:

85332688

Reduced:

O3N6C32H36 (1)

Stoich.:

A3B6C32D36 (1)

Weight, g/mol:

558.206754

ΔHf, kcal/mol:

-60.02

Dipole, Da:

5.84

IP(EA), eV:

 -8.87(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-morpholin-4-yl-7-(oxan-4-ylmethyl)-10-oxo-4-thia-1,2-diazatricyclo[7.3.1.05,13]trideca-2,11-diene-11-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations