Geometry & MOs

Info

ID:

412122

PubChem CID:

135084996

Reduced:

NPO4C65H98 (1)

Stoich.:

ABC4D65E98 (1)

Weight, g/mol:

582.291614

ΔHf, kcal/mol:

-237.16

Dipole, Da:

2.63

IP(EA), eV:

 -8.2(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4S,5S)-4,5-diphenyl-3-[2,4,6-tri(propan-2-yl)phenyl]imidazolidin-3-ium-1-yl]benzenesulfonate

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)N(C)C)(C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations