Geometry & MOs

Info

ID:

306485

PubChem CID:

125082390

Reduced:

SF2N3O5C34H41 (1)

Stoich.:

AB2C3D5E34F41 (1)

Weight, g/mol:

671.282921

ΔHf, kcal/mol:

-266.65

Dipole, Da:

2.37

IP(EA), eV:

 -8.76(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-4-ethoxyanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCCC3)C(=O)CCCN(C4=CC(=C(C=C4)F)F)S(=O)(=O)C

DOS

IR

Vibrations