Geometry & MOs

Info

ID:

229588

PubChem CID:

87568097

Reduced:

OSF2N3C19H19 (1)

Stoich.:

ABC2D3E19F19 (1)

Weight, g/mol:

1160.332964

ΔHf, kcal/mol:

-63.7

Dipole, Da:

3.28

IP(EA), eV:

 -9.16(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[(2S)-2-acetyloxy-3-(4-methylphenyl)sulfonyloxypropoxy]phenyl]-2-[[(2S)-2-[4-[[2-[[bis(4-methoxyphenyl)-phenylmethyl]sulfamoyl]-1,3-benzothiazol-6-yl]oxymethyl]triazol-1-yl]-3-methylbutanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C)CC1=CN(C(=C1)C(=O)NC2=NC=CS2)CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations