Geometry & MOs

Info

ID:

412326

PubChem CID:

135085216

Reduced:

ClNSC16H22 (1)

Stoich.:

ABCD16E22 (1)

Weight, g/mol:

861.139685

ΔHf, kcal/mol:

41.44

Dipole, Da:

14.66

IP(EA), eV:

 -7.28(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

cyclopenta-1,3-diene;dichlororuthenium(2+);diphenyl-[(5E)-5-[(4R)-4-propan-2-yl-1,3-oxazolidin-3-id-2-ylidene]cyclopenta-1,3-dien-1-yl]phosphanium;triphenylphosphanium

Drug info:

PubChemData

Smile

CC1=CSC=[N+]1C2=C(C=CC=C2C(C)C)C(C)C.[Cl-]

DOS

IR

Vibrations