Geometry & MOs

Info

ID:

80122

PubChem CID:

49833096

Reduced:

OSN6H20C24 (1)

Stoich.:

ABC6D20E24 (1)

Weight, g/mol:

774.089819

ΔHf, kcal/mol:

110.47

Dipole, Da:

8.08

IP(EA), eV:

 -8.76(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-N-[1-[[1-[5-(2-chloro-1,3-thiazol-5-yl)pyridin-2-yl]cyclopropyl]carbamoyl]cyclopropyl]-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC=C(C2=O)CSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=NC=C5)C=C1

DOS

IR

Vibrations