Geometry & MOs

Info

ID:

59186

PubChem CID:

24775704

Reduced:

ON2C36H68 (1)

Stoich.:

AB2C36D68 (1)

Weight, g/mol:

620.108553

ΔHf, kcal/mol:

-166.41

Dipole, Da:

2.14

IP(EA), eV:

 -8.73(2.9)

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-ethylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4)O)C)NCCCCCCCCCN)C

DOS

IR

Vibrations