Geometry & MOs

Info

ID:

176415

PubChem CID:

76045458

Reduced:

BrSO5N6H19C22 (1)

Stoich.:

ABC5D6E19F22 (1)

Weight, g/mol:

514.082617

ΔHf, kcal/mol:

-99.95

Dipole, Da:

5.63

IP(EA), eV:

 -9.45(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,3-diazinan-5-yl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)C3=C(C(=NC(=C3C#N)SC4=CC=C(C=C4)Br)N)C#N)CO)O

DOS

IR

Vibrations