Geometry & MOs

Info

ID:

230533

PubChem CID:

87571272

Reduced:

ClO2N8C25H29 (1)

Stoich.:

AB2C8D25E29 (1)

Weight, g/mol:

1160.332964

ΔHf, kcal/mol:

26.54

Dipole, Da:

8.83

IP(EA), eV:

 -9.26(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-[4-[1-acetyloxy-3-(4-methylphenyl)sulfonyloxypropan-2-yl]oxyphenyl]-2-[[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

C1CC1C(=O)NC2CCC(CC2)NC3=NN4C(=CN=C4C(=C3)NC5CC5)C(=O)NC6=CC(=NC=C6)Cl

DOS

IR

Vibrations