Geometry & MOs

Info

ID:

59187

PubChem CID:

24775706

Reduced:

ClSN2O2C14H15 (2)

Stoich.:

ABC2D2E14F15 (2)

Weight, g/mol:

649.135102

ΔHf, kcal/mol:

-85.91

Dipole, Da:

7.54

IP(EA), eV:

 -8.81(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations