Geometry & MOs

Info

ID:

190930

PubChem CID:

78079256

Reduced:

SN3O6C41H63 (1)

Stoich.:

AB3C6D41E63 (1)

Weight, g/mol:

523.126935

ΔHf, kcal/mol:

-276.75

Dipole, Da:

7.97

IP(EA), eV:

 -8.4(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-benzylsulfanyl-4-oxo-3-phenyl-1,2,4a,5,6,7,8,8a-octahydroquinazolin-6-yl)-N-methylsulfonylmethanesulfonamide

Drug info:

PubChemData

Smile

CCCCCCC(C)(C)C1=CC2=C(C3CC(=CCC3C(O2)(C)C)CO)C(=C1)OC(=O)CCCCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5

DOS

IR

Vibrations