Geometry & MOs

Info

ID:

422429

PubChem CID:

135117820

Reduced:

SO4N10C35H46 (1)

Stoich.:

AB4C10D35E46 (1)

Weight, g/mol:

304.164774

ΔHf, kcal/mol:

-57.34

Dipole, Da:

4.03

IP(EA), eV:

 -9.23(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N,3-N-dimethyl-2-N-[2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]pyrazine-2,3-diamine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)CC(=O)N2C[C@@H](NC(=O)CN3C(=NC(=N3)C)[C@@H](NC(=O)C4=CSC(=N4)[C@@H](NC(=O)C2)CC(C)C)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations