Geometry & MOs

Info

ID:

193566

PubChem CID:

78407778

Reduced:

OSN5C15H18 (1)

Stoich.:

ABC5D15E18 (1)

Weight, g/mol:

1078.27713

ΔHf, kcal/mol:

18.55

Dipole, Da:

4.27

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.033007

Charge, e:

 2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1CC2=C(N1C(=O)C)C=CC(=C2)C3=CSC(=N3)[NH+]=C(N)N

DOS

IR

Vibrations