Geometry & MOs

Info

ID:

219924

PubChem CID:

85165050

Reduced:

N3O6C35H59 (1)

Stoich.:

A3B6C35D59 (1)

Weight, g/mol:

619.209671

ΔHf, kcal/mol:

-322.4

Dipole, Da:

4.16

IP(EA), eV:

 -9.32(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(4-chlorophenyl)methoxy]-5-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCC(C)CC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)OCC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)OC

DOS

IR

Vibrations