Geometry & MOs

Info

ID:

181876

PubChem CID:

76808647

Reduced:

ClN8O12C67H71 (1)

Stoich.:

AB8C12D67E71 (1)

Weight, g/mol:

1094.491994

ΔHf, kcal/mol:

-294.19

Dipole, Da:

9.67

IP(EA), eV:

 -8.51(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-phenylmethoxy-4-prop-2-enoxycarbonyloxyoxan-2-yl]methoxy]-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-phenylmethoxypentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)CC1=CC=C(C=C1)C(=O)CC2=CC=C(C=C2)C(=O)CC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C5C=C(C7=CC=CC=C76)OC(=O)N8CCN(CC8)C)CCl)NC(=O)C(CC(=O)C(C)NC(=O)CCCN9C(=O)C=CC9=O)CC(=O)N

DOS

IR

Vibrations