Geometry & MOs

Info

ID:

143629

PubChem CID:

53237488

Reduced:

O8N14C45H60 (1)

Stoich.:

A8B14C45D60 (1)

Weight, g/mol:

619.348218

ΔHf, kcal/mol:

-297.23

Dipole, Da:

12.4

IP(EA), eV:

 -9.02(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl-[2-(dimethylamino)ethylcarbamoyl]amino]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCCC(=O)N[C@H]1CCC(=O)NC([C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N)C

DOS

IR

Vibrations