Geometry & MOs

Info

ID:

80227

PubChem CID:

49833651

Reduced:

FCl2O4N8H31C38 (1)

Stoich.:

AB2C4D8E31F38 (1)

Weight, g/mol:

806.174656

ΔHf, kcal/mol:

12.13

Dipole, Da:

7.53

IP(EA), eV:

 -9.38(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CN=C(C=C2)C3(CC3)NC(=O)C4(CC4)NC(=O)C5=CN=C6N5[C@](C(=O)N6C7=CC(=C(C(=C7)Cl)F)Cl)(C)CC8=CC=C(C=C8)C#N

DOS

IR

Vibrations