Geometry & MOs

Info

ID:

185490

PubChem CID:

77303348

Reduced:

ClN3O3H20C22 (1)

Stoich.:

AB3C3D20E22 (1)

Weight, g/mol:

896.419666

ΔHf, kcal/mol:

-75.69

Dipole, Da:

6.24

IP(EA), eV:

 -9.28(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[4-[2-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=CC(=CC(=C2)Cl)NC(=O)C(CC3=CC=CC=C3)NC(=O)O

DOS

IR

Vibrations