Geometry & MOs

Info

ID:

320678

PubChem CID:

126662476

Reduced:

FSCl2O3N4C24H25 (1)

Stoich.:

ABC2D3E4F24G25 (1)

Weight, g/mol:

524.094839

ΔHf, kcal/mol:

-91.89

Dipole, Da:

8.49

IP(EA), eV:

 -8.47(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-amine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)Cl)S(=O)(=O)N2C[C@@H](OC3=C2C=C(C=C3)/C=C(\C)/C4=C(C=CC=C4Cl)F)[C@@H](C)N

DOS

IR

Vibrations