Geometry & MOs

Info

ID:

59188

PubChem CID:

24775707

Reduced:

Cl2S2O4N5C29H33 (1)

Stoich.:

A2B2C4D5E29F33 (1)

Weight, g/mol:

648.139853

ΔHf, kcal/mol:

-77.13

Dipole, Da:

10.36

IP(EA), eV:

 -8.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=C(SC=C1)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCNS(=O)(=O)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations