Geometry & MOs

Info

ID:

215099

PubChem CID:

85084154

Reduced:

N5O8C38H47 (1)

Stoich.:

A5B8C38D47 (1)

Weight, g/mol:

702.211962

ΔHf, kcal/mol:

-316.23

Dipole, Da:

9.93

IP(EA), eV:

 -9.2(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[3-acetyl-5,6-diacetyloxy-4-(acetyloxymethyl)-4-hydroxy-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazol-2-ylidene]amino]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCCN3C(=O)C(CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations