Geometry & MOs

Info

ID:

80191

PubChem CID:

49833463

Reduced:

Cl2F4O4N7H31C39 (1)

Stoich.:

A2B4C4D7E31F39 (1)

Weight, g/mol:

739.198919

ΔHf, kcal/mol:

-203.37

Dipole, Da:

5.98

IP(EA), eV:

 -8.68(-1.01)

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

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C2=NC=C(N21)C(=O)NC3(CC3)C(=O)NC4(CC4)C5=NC=C(C=C5)C6=CC=C(C=C6)N)C7=CC(=C(C(=C7)Cl)F)Cl)CC8=CC=C(C=C8)OC(F)(F)F

DOS

IR

Vibrations