Geometry & MOs

Info

ID:

47504

PubChem CID:

10533540

Reduced:

SO2N5C21H34 (2)

Stoich.:

AB2C5D21E34 (2)

Weight, g/mol:

841.329139

ΔHf, kcal/mol:

-76.68

Dipole, Da:

5.06

IP(EA), eV:

 -8.14(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2R)-1-[(2S)-2-[[(2S)-5-[[amino-[(4-methylphenyl)sulfonylamino]methylidene]amino]-1-oxo-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CN(CCCCCCCCNCCSSCCNCCCCCCCCN(C)C1=NC2=CC(=C(C=C2C(=N1)N)OC)OC)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC

DOS

IR

Vibrations