Geometry & MOs

Info

ID:

440140

PubChem CID:

135230040

Reduced:

N2F3O4C34H47 (1)

Stoich.:

A2B3C4D34E47 (1)

Weight, g/mol:

567.329494

ΔHf, kcal/mol:

-361.75

Dipole, Da:

6.76

IP(EA), eV:

 -9.22(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

methylimino-[4-[1-[[1-oxo-1-propoxy-3-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]propan-2-yl]carbamoyl]cyclopentyl]butylimino]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1C)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3(CCCC3)CC(C)(C)CC(C)(C)C(C)C)C(F)(F)F

DOS

IR

Vibrations