Geometry & MOs

Info

ID:

80283

PubChem CID:

49833837

Reduced:

ClFSO2N6H16C23 (1)

Stoich.:

ABCD2E6F16G23 (1)

Weight, g/mol:

763.187686

ΔHf, kcal/mol:

40.82

Dipole, Da:

6.48

IP(EA), eV:

 -9.26(-1.42)

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-[5-[4-(hydroxymethyl)phenyl]pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC(=O)NC=C2)SC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=C(C=C5)F

DOS

IR

Vibrations