Geometry & MOs

Info

ID:

184829

PubChem CID:

77215266

Reduced:

O5N7H35C40 (1)

Stoich.:

A5B7C35D40 (1)

Weight, g/mol:

560.239987

ΔHf, kcal/mol:

24.81

Dipole, Da:

5.51

IP(EA), eV:

 -8.57(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(4-butoxycarbonylpiperazin-1-yl)-1-oxo-2-[(6-phenyl-4-propan-2-ylpyridine-2-carbonyl)amino]propan-2-yl]phosphonic acid

Drug info:

PubChemData

Smile

CC(C)C1C2=NC3=C(O2)C45C(NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC=C8C9=CN=C3O9)OC2=C5C=C(CC(C(=O)N1)NC(=O)C1CCCN1)C=C2

DOS

IR

Vibrations