Geometry & MOs

Info

ID:

432454

PubChem CID:

135172587

Reduced:

F3O8C38H49 (1)

Stoich.:

A3B8C38D49 (1)

Weight, g/mol:

677.25173

ΔHf, kcal/mol:

-493.16

Dipole, Da:

1.99

IP(EA), eV:

 -8.76(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[7-chloro-2-[3-[2-cyano-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,3-benzoxazol-5-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)C2=C(C(=CC(=C2)OCCOC(=O)C(=C)CO)OCCOC(=O)C(=C)CO)C)C3CCC(CC3)CCCCC(F)(F)F

DOS

IR

Vibrations