Geometry & MOs

Info

ID:

437254

PubChem CID:

135218666

Reduced:

ClN6C12H13 (1)

Stoich.:

AB6C12D13 (1)

Weight, g/mol:

754.20674

ΔHf, kcal/mol:

92.84

Dipole, Da:

4.41

IP(EA), eV:

 -8.49(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-[6-bromo-3-fluoro-4-(triethyl-lambda4-sulfanyl)pyridin-2-yl]-1-[2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-1lambda6-thia-2,7-diazacyclohept-7-en-1-yl]-3-fluoropropan-2-yl]butane-1-sulfinamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=C(N=CC(=C3)Cl)N(C2=N)C=N

DOS

IR

Vibrations