Geometry & MOs

Info

ID:

184890

PubChem CID:

77224474

Reduced:

ClSO2N6C21H25 (1)

Stoich.:

ABC2D6E21F25 (1)

Weight, g/mol:

550.305624

ΔHf, kcal/mol:

7.89

Dipole, Da:

1.98

IP(EA), eV:

 -8.39(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(1-oxo-8-phenyl-3,3a,4,5,5a,6,7,8,9,9a-decahydro-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3=NN=C(S3)NCC(CC4=CC(=C(C=C4)OC)OC)[NH3+].[Cl-]

DOS

IR

Vibrations