Geometry & MOs

Info

ID:

190173

PubChem CID:

77962265

Reduced:

OSN8C20H22 (1)

Stoich.:

ABC8D20E22 (1)

Weight, g/mol:

678.293009

ΔHf, kcal/mol:

106.09

Dipole, Da:

5.2

IP(EA), eV:

 -8.42(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-phenyl-1-[2-[5-[4-[4-[2-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(C1O)N)C2=C(C=NC=C2)NC3=NC=C4N3N=C(C=C4)C5=NC=CS5

DOS

IR

Vibrations