Geometry & MOs

Info

ID:

80226

PubChem CID:

49833648

Reduced:

Cl2S2O3N7H15C22 (1)

Stoich.:

A2B2C3D7E15F22 (1)

Weight, g/mol:

752.182935

ΔHf, kcal/mol:

85.17

Dipole, Da:

7.37

IP(EA), eV:

 -9.56(-1.49)

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=NN=C2SCC3=NC(=NO3)C4=CC=C(C=C4)Cl)C5=CC(=NC=C5)S(=O)(=O)N)Cl

DOS

IR

Vibrations