Geometry & MOs

Info

ID:

45093

PubChem CID:

10507960

Reduced:

N4O7C33H46 (1)

Stoich.:

A4B7C33D46 (1)

Weight, g/mol:

610.145984

ΔHf, kcal/mol:

-308.75

Dipole, Da:

3.51

IP(EA), eV:

 -9.73(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(1S)-3-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H]1CCN(C[C@H]1O)C(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations