Geometry & MOs

Info

ID:

318414

PubChem CID:

126651197

Reduced:

S2N9O11C52H61 (1)

Stoich.:

A2B9C11D52E61 (1)

Weight, g/mol:

541.301267

ΔHf, kcal/mol:

-131.62

Dipole, Da:

6.64

IP(EA), eV:

 -8.79(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=CC(=CN2C1=O)C#CC3=CC=C(C=C3)CN4CC5(C4)COC5)(C(=O)NO)S(=O)(=O)C.CC(CCN1CC2=CC(=CN2C1=O)C#CC3=CC=C(C=C3)CN4CC5C(C4)C5N)(C(=O)NO)S(=O)(=O)C

DOS

IR

Vibrations