Geometry & MOs

Info

ID:

80457

PubChem CID:

49834555

Reduced:

F3O3C17H19 (1)

Stoich.:

A3B3C17D19 (1)

Weight, g/mol:

764.182935

ΔHf, kcal/mol:

-295.76

Dipole, Da:

3.7

IP(EA), eV:

 -9.98(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-N-[1-[[1-[6-[4-(hydroxymethyl)phenyl]pyridazin-3-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(C=C(C=C1)[C@@H]2CCC(=O)C2)C(F)(F)F

DOS

IR

Vibrations