Geometry & MOs

Info

ID:

221839

PubChem CID:

85286196

Reduced:

N2O9C35H38 (1)

Stoich.:

A2B9C35D38 (1)

Weight, g/mol:

630.383286

ΔHf, kcal/mol:

-278.62

Dipole, Da:

3.55

IP(EA), eV:

 -8.28(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[(1-anilino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl]-2-butyl-6-[4-(4-fluorophenyl)phenyl]hexanoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC3=C1OCO3)C=C4C(O2)N(C(C(=O)N4CC5=CC=CC=C5)CC6=CC(=C(C(=C6OC)C)OC)OC)C(=O)OC(C)C

DOS

IR

Vibrations