Geometry & MOs

Info

ID:

302253

PubChem CID:

124360905

Reduced:

SN4O5C25H32 (1)

Stoich.:

AB4C5D25E32 (1)

Weight, g/mol:

447.182792

ΔHf, kcal/mol:

-175.29

Dipole, Da:

2.73

IP(EA), eV:

 -8.48(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[6-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations