Geometry & MOs

Info

ID:

87292

PubChem CID:

49893763

Reduced:

ISN3O6H24C28 (1)

Stoich.:

ABC3D6E24F28 (1)

Weight, g/mol:

595.10281

ΔHf, kcal/mol:

-130.17

Dipole, Da:

5.96

IP(EA), eV:

 -8.91(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2I)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations