Geometry & MOs

Info

ID:

219123

PubChem CID:

85090623

Reduced:

N2O7C32H42 (1)

Stoich.:

A2B7C32D42 (1)

Weight, g/mol:

566.36795

ΔHf, kcal/mol:

-264.86

Dipole, Da:

1.08

IP(EA), eV:

 -8.91(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-amino-8-(butylamino)-4-formamido-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-3-methoxy-2-(3-methoxypropoxy)benzamide

Drug info:

PubChemData

Smile

CC(=O)C(C(C(=O)O)O)O.C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)NCC3C4C3CN(C4)CC5=CC=CC=C5)O

DOS

IR

Vibrations