Geometry & MOs

Info

ID:

193103

PubChem CID:

78344030

Reduced:

SF3N3O4C29H32 (1)

Stoich.:

AB3C3D4E29F32 (1)

Weight, g/mol:

568.273736

ΔHf, kcal/mol:

-266.7

Dipole, Da:

4.02

IP(EA), eV:

 -8.29(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)methyl-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-4-phenyl-N-propylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C2C(=O)NC3CC(CCC3S2)C(=O)N4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)OC

DOS

IR

Vibrations