Geometry & MOs

Info

ID:

214640

PubChem CID:

85083328

Reduced:

NO3H16C17 (2)

Stoich.:

AB3C16D17 (2)

Weight, g/mol:

572.321

ΔHf, kcal/mol:

-100.35

Dipole, Da:

3.35

IP(EA), eV:

 -9.28(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(C2=O)OC3=CC=CC=C3)C(C(C4C(C(=O)N4CC5=CC=CC=C5)OC6=CC=CC=C6)O)O

DOS

IR

Vibrations