Geometry & MOs

Info

ID:

172745

PubChem CID:

75547458

Reduced:

O5N6C24H34 (1)

Stoich.:

A5B6C24D34 (1)

Weight, g/mol:

482.264154

ΔHf, kcal/mol:

-157.07

Dipole, Da:

2.34

IP(EA), eV:

 -9.53(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-anilino-2-oxoethyl)-N-butan-2-yl-4-cyclopropyl-1,5-dioxo-3,3a,5a,6,7,8,9,9a-octahydro-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1CCC2C(C1)N3C(NN(C3=O)CC(=O)NCC4=CC=CO4)N(C2=O)C5CC5

DOS

IR

Vibrations