Geometry & MOs

Info

ID:

59189

PubChem CID:

24775708

Reduced:

ClSN2O2C15H17 (2)

Stoich.:

ABC2D2E15F17 (2)

Weight, g/mol:

634.124203

ΔHf, kcal/mol:

-91.62

Dipole, Da:

13.11

IP(EA), eV:

 -8.48(-0.46)

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-(2-methylsulfonylethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations