Geometry & MOs

Info

ID:

80023

PubChem CID:

49832265

Reduced:

FCl2O4N8H31C38 (1)

Stoich.:

AB2C4D8E31F38 (1)

Weight, g/mol:

753.219048

ΔHf, kcal/mol:

-29.76

Dipole, Da:

6.97

IP(EA), eV:

 -9.44(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-[3-chloro-5-(trifluoromethyl)phenyl]-5-[(4-cyanophenyl)methyl]-5-methyl-N-[1-[[1-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]-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=C(C=C3)CO)NC(=O)C4=CN=C5N4[C@](C(=O)N5C6=CC(=C(C(=C6)Cl)F)Cl)(C)CC7=CC=C(C=C7)C#N

DOS

IR

Vibrations