Geometry & MOs

Info

ID:

187289

PubChem CID:

77555104

Reduced:

O8N9C41H49 (1)

Stoich.:

A8B9C41D49 (1)

Weight, g/mol:

455.196883

ΔHf, kcal/mol:

-262.16

Dipole, Da:

9.28

IP(EA), eV:

 -8.35(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(4-fluorophenyl)pyridin-3-yl]-2-morpholin-4-ylpropyl]-2,6-dioxo-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)CN(CC4=CC5=C(C=C4)N=C(N5)C6CCCN6C(=O)C(C(C)O)NC(=O)OC)C7=CC=CC=C7)NC(=O)O)O

DOS

IR

Vibrations