Geometry & MOs

Info

ID:

427953

PubChem CID:

135165567

Reduced:

ClFSN2O3H20C25 (1)

Stoich.:

ABCD2E3F20G25 (1)

Weight, g/mol:

616.231329

ΔHf, kcal/mol:

-62.85

Dipole, Da:

7.43

IP(EA), eV:

 -8.64(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid

Drug info:

PubChemData

Smile

C=CC(=O)NC1(CC(C1)C2=C3C=C(C(=C(C3=NS2)F)C4=CC(=CC5=CC=CC=C54)O)Cl)CO

DOS

IR

Vibrations