Geometry & MOs

Info

ID:

80154

PubChem CID:

49833280

Reduced:

OSN6C21H22 (1)

Stoich.:

ABC6D21E22 (1)

Weight, g/mol:

773.183269

ΔHf, kcal/mol:

113.72

Dipole, Da:

5.03

IP(EA), eV:

 -9.2(-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-[[1-(5-imidazo[1,2-a]pyridin-6-ylpyridin-2-yl)cyclopropyl]carbamoyl]cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC(=C3)C)C4=CC=NC=C4

DOS

IR

Vibrations