Geometry & MOs

Info

ID:

185607

PubChem CID:

77320056

Reduced:

O4N5C35H59 (1)

Stoich.:

A4B5C35D59 (1)

Weight, g/mol:

559.37337

ΔHf, kcal/mol:

-195.12

Dipole, Da:

2.69

IP(EA), eV:

 -8.42(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-amino-7-[3-(methoxycarbonylamino)-3,4-dihydro-2H-quinolin-1-yl]-5,5-dimethyl-7-oxo-1-piperidin-1-ylheptan-2-yl] 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(CC1=CC2=C(C=C1)N(N=C2CCCOC)C)CC(C(CC(C(C)C)C(=O)NCC3CC3)O)NC(=O)C(C(C)C)N

DOS

IR

Vibrations