Geometry & MOs

Info

ID:

80319

PubChem CID:

49834033

Reduced:

ClF2O2N4H15C18 (2)

Stoich.:

AB2C2D4E15F18 (2)

Weight, g/mol:

789.203336

ΔHf, kcal/mol:

-209.13

Dipole, Da:

7.83

IP(EA), eV:

 -9.2(-1.08)

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1(CC1)C2=NC=C(C=C2)C3=CN(N=C3)C)NC(=O)C4=CN=C5N4[C@](C(=O)N5C6=CC(=C(C(=C6)Cl)F)Cl)(C)CC7=CC=C(C=C7)OC(F)(F)F

DOS

IR

Vibrations