Geometry & MOs

Info

ID:

445903

PubChem CID:

135269903

Reduced:

O3N5C25H27 (1)

Stoich.:

A3B5C25D27 (1)

Weight, g/mol:

506.201768

ΔHf, kcal/mol:

10.88

Dipole, Da:

3.4

IP(EA), eV:

 -8.93(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(methylaminomethyl)benzenecarboximidoyl] 3-amino-6-[4-[cyclopentylsulfanyl(methyl)phosphanyl]phenyl]pyrazine-2-carboximidate

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)C2=NN=C(O2)/C(=C(\C)/N=C)/N=C(C)C3=CC=C(C=C3)C(=O)N(C)C)O

DOS

IR

Vibrations