Geometry & MOs

Info

ID:

187712

PubChem CID:

77612559

Reduced:

N2O9C37H48 (1)

Stoich.:

A2B9C37D48 (1)

Weight, g/mol:

620.361408

ΔHf, kcal/mol:

-313.05

Dipole, Da:

4.02

IP(EA), eV:

 -8.09(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxyphenyl]prop-2-enoxy]phenyl]ethylcarbamic acid

Drug info:

PubChemData

Smile

CC(=C)C.COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations