Geometry & MOs

Info

ID:

146763

PubChem CID:

53746042

Reduced:

SO3F4N6H13C15 (1)

Stoich.:

AB3C4D6E13F15 (1)

Weight, g/mol:

213.101445

ΔHf, kcal/mol:

-171.3

Dipole, Da:

1.9

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.761749

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-aminophenyl)pyrazine-2-carboximidamide

Drug info:

PubChemData

Smile

CC1(N=CN[N+]1(C=O)C2=C(C=CC=C2F)C(F)(F)F)C3=NC(=NC=C3)S(=O)(=O)N

DOS

IR

Vibrations