Geometry & MOs

Info

ID:

190740

PubChem CID:

78050232

Reduced:

OSN3C17H19 (1)

Stoich.:

ABC3D17E19 (1)

Weight, g/mol:

862.515068

ΔHf, kcal/mol:

19.44

Dipole, Da:

9.94

IP(EA), eV:

 -8.86(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[3,5-dihydroxy-2-[2-hydroxy-6-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-methyl-6-(propylaminomethyl)oxan-2-yl]oxycyclohexyl]oxy-5-methyloxan-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=C2C3C(=NC(=O)C2=CC=C1)SC(=N3)CN4CCCCC4

DOS

IR

Vibrations