Geometry & MOs

Info

ID:

192766

PubChem CID:

78309170

Reduced:

S2N4O5C25H28 (1)

Stoich.:

A2B4C5D25E28 (1)

Weight, g/mol:

544.352575

ΔHf, kcal/mol:

-63.79

Dipole, Da:

8.21

IP(EA), eV:

 -8.97(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[benzyl-[(4-methoxyphenyl)methyl]amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=NSN=C2C=C1)S(=O)(=O)N(CC3=CC4C=C(C(=CC4=NC3=O)OC)OC)C5CCCCC5

DOS

IR

Vibrations