Geometry & MOs

Info

ID:

188461

PubChem CID:

77720687

Reduced:

N4O5C28H36 (1)

Stoich.:

A4B5C28D36 (1)

Weight, g/mol:

672.172868

ΔHf, kcal/mol:

-180.82

Dipole, Da:

5.24

IP(EA), eV:

 -9.24(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[[2-[2-(1-tert-butyl-4-phenylcyclohexa-2,5-dien-1-yl)ethenyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

Drug info:

PubChemData

Smile

CCCN1C2CC(NC2C(=O)N(C1=O)CCC)C3=CC=C(C=C3)OCC(=O)NCC(C4=CC=CC=C4)O

DOS

IR

Vibrations