Geometry & MOs

Info

ID:

428002

PubChem CID:

135165667

Reduced:

IS2O4N6C9H11 (1)

Stoich.:

AB2C4D6E9F11 (1)

Weight, g/mol:

532.144823

ΔHf, kcal/mol:

-23.11

Dipole, Da:

2.14

IP(EA), eV:

 -9.76(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl)-2-methylphenyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1S(=O)(=O)CCN)S(=O)(=O)N)C2=NNN=N2)I

DOS

IR

Vibrations