Geometry & MOs

Info

ID:

45233

PubChem CID:

10509797

Reduced:

NH17C69 (1)

Stoich.:

AB17C69 (1)

Weight, g/mol:

862.501102

ΔHf, kcal/mol:

2127.49

Dipole, Da:

2.6

IP(EA), eV:

 -8.71(-3.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-6-[[(2R)-1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]anilino]-3-methyl-1-oxobutan-2-yl]-formylamino]-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1(C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C8=C8C%10=C%15C%16=C%17C(=C%14%10)C%13=C%10C%13=C%12C%12=C%11C%11=C9C6=C6C%11=C9C%12=C%11C%13=C%12C%10=C%17C%10=C%16C%13=C(C2(C2=C%13C%15=C8C7=C52)C2(N1)CCCCC2)C1=C%10C%12=C2C%11=C9C(=C64)C3=C21)C

DOS

IR

Vibrations