Geometry & MOs

Info

ID:

67462

PubChem CID:

46506523

Reduced:

SO2N5C27H37 (1)

Stoich.:

AB2C5D27E37 (1)

Weight, g/mol:

488.220575

ΔHf, kcal/mol:

-63.74

Dipole, Da:

3.86

IP(EA), eV:

 -9.18(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[8-(3-methylbutyl)-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl]butanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NCCC45CC6CC(C4)CC(C6)C5

DOS

IR

Vibrations