Geometry & MOs

Info

ID:

32142

PubChem CID:

4266362

Reduced:

NSO5H21C27 (1)

Stoich.:

ABC5D21E27 (1)

Weight, g/mol:

787.440781

ΔHf, kcal/mol:

-82.49

Dipole, Da:

5.26

IP(EA), eV:

 -9.08(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-3-enyl N-[4-(benzylcarbamoyloxy)-15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OC5=CC=CC=C54

DOS

IR

Vibrations