Geometry & MOs

Info

ID:

80192

PubChem CID:

49833464

Reduced:

FCl2O3N9H32C37 (1)

Stoich.:

AB2C3D9E32F37 (1)

Weight, g/mol:

722.138213

ΔHf, kcal/mol:

14.23

Dipole, Da:

7.28

IP(EA), eV:

 -9.06(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[1-[[1-[5-(1,3-thiazol-4-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]imidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C2=CN=C(C=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)C4=CN=C5N4[C@](C(=O)N5C6=CC(=C(C(=C6)Cl)F)Cl)(C)CC7=CC=C(C=C7)C#N)C

DOS

IR

Vibrations