Geometry & MOs

Info

ID:

215197

PubChem CID:

85084350

Reduced:

S2N5O6C40H41 (1)

Stoich.:

A2B5C6D40E41 (1)

Weight, g/mol:

751.442118

ΔHf, kcal/mol:

-54.75

Dipole, Da:

4.25

IP(EA), eV:

 -8.88(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[1-[3-(3,4-diethylphenyl)-2-[[4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperidin-4-yl]piperidin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=C3C=NC(=NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)S3)NOC)C7CCCO7

DOS

IR

Vibrations