Geometry & MOs

Info

ID:

219753

PubChem CID:

85164829

Reduced:

FO6N8H27C28 (1)

Stoich.:

AB6C8D27E28 (1)

Weight, g/mol:

592.314852

ΔHf, kcal/mol:

-87.72

Dipole, Da:

9.68

IP(EA), eV:

 -9.44(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-(2-cyclohexylethoxy)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NC(=O)C2C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NN=NN4CC(=O)O)C(=O)O)F)C

DOS

IR

Vibrations