Geometry & MOs

Info

ID:

170406

PubChem CID:

75228488

Reduced:

SeN2O4H32C36 (1)

Stoich.:

AB2C4D32E36 (1)

Weight, g/mol:

357.164833

ΔHf, kcal/mol:

-10.01

Dipole, Da:

9.34

IP(EA), eV:

 -8.19(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetamido-4-(diaminomethylideneamino)-2-[1-hydroxy-2-oxo-2-(propan-2-ylamino)ethyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3C(C2=O)C(N4C3C(C5(O4)CCC6=CC=CC=C6C5=O)C7=CC=CC=C7)C[Se]C8=CC=CC=C8

DOS

IR

Vibrations