Geometry & MOs

Info

ID:

190179

PubChem CID:

77963196

Reduced:

ON2F3H29C31 (1)

Stoich.:

AB2C3D29E31 (1)

Weight, g/mol:

752.473752

ΔHf, kcal/mol:

-100.06

Dipole, Da:

4.63

IP(EA), eV:

 -8.1(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[4-[4-[2-[1-[4-(diethylamino)cyclohexanecarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1C(C(NC2=C1C(=C(C=C2C)C3=CC=CC4=C3NC=C4C)C#CC5=C(C=CC(=C5)C(F)F)F)(C)C)O

DOS

IR

Vibrations