Geometry & MOs

Info

ID:

64567

PubChem CID:

29202932

Reduced:

SF3N3O4H16C19 (1)

Stoich.:

AB3C3D4E16F19 (1)

Weight, g/mol:

494.118144

ΔHf, kcal/mol:

-225.29

Dipole, Da:

7.71

IP(EA), eV:

 -9.14(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S)-2-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations