Geometry & MOs

Info

ID:

166366

PubChem CID:

74677929

Reduced:

N3O3C10H14 (2)

Stoich.:

A3B3C10D14 (2)

Weight, g/mol:

474.204925

ΔHf, kcal/mol:

-230.6

Dipole, Da:

4.85

IP(EA), eV:

 -9.57(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N,4-dimethyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CN3C(=O)C(NC3=O)(C)C)N

DOS

IR

Vibrations