Geometry & MOs

Info

ID:

181400

PubChem CID:

76743052

Reduced:

N5O6C29H33 (1)

Stoich.:

A5B6C29D33 (1)

Weight, g/mol:

453.154743

ΔHf, kcal/mol:

-162.45

Dipole, Da:

9.13

IP(EA), eV:

 -9.0(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetyloxy-2-[4-[3-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-5-fluorophenyl]-3-oxomorpholin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)NC(=O)C(C2C(=O)N(CCO2)C3=CC=CC(=C3)C(=O)N(C)CC(=O)N4CCCC4)O)[N+]#[C-]

DOS

IR

Vibrations