Geometry & MOs

Info

ID:

427163

PubChem CID:

135155805

Reduced:

ClO2N6C27H27 (1)

Stoich.:

AB2C6D27E27 (1)

Weight, g/mol:

663.246867

ΔHf, kcal/mol:

23.49

Dipole, Da:

5.44

IP(EA), eV:

 -9.5(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,6aR)-5-[5-[[2-amino-4-(4-fluorophenyl)-4-(3-methylbutyl)-5-oxoimidazol-1-yl]methyl]-2-(trifluoromethyl)benzoyl]-3a-phenyl-6,6a-dihydro-4H-pyrrolo[3,4-c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=N1)N)CC2=CC(=C(C=C2)Cl)C(=O)N3CC4=NC=CN=C4C3)C5=CC=CC=C5

DOS

IR

Vibrations