Geometry & MOs

Info

ID:

320656

PubChem CID:

126662416

Reduced:

ClNSO3F4H18C24 (1)

Stoich.:

ABCD3E4F18G24 (1)

Weight, g/mol:

538.110489

ΔHf, kcal/mol:

-258.27

Dipole, Da:

6.06

IP(EA), eV:

 -8.86(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CN(C2=C1C=CC(=C2)/C=C/C3=C(C=CC=C3Cl)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)O

DOS

IR

Vibrations