Geometry & MOs

Info

ID:

318447

PubChem CID:

126651385

Reduced:

ClN2F3O7C30H32 (1)

Stoich.:

AB2C3D7E30F32 (1)

Weight, g/mol:

512.274718

ΔHf, kcal/mol:

-413.92

Dipole, Da:

6.11

IP(EA), eV:

 -8.57(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OCCC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)OCC(F)(F)F)OC

DOS

IR

Vibrations