Geometry & MOs

Info

ID:	320683
PubChem CID:	126662503
Reduced:	ON4C30H48 (1)
Stoich.:	AB4C30D48 (1)
Weight, g/mol:	566.105404
ΔH_f, kcal/mol:	0.16
Dipole, Da:	5.13
IP(EA), eV:	-8.22(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-7-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinolin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CCCC1=CC=C(C=C1)OCC2CCN(CC2)CN/C=C(/CC)\C=NC)C(=C)NC3CC3

DOS

IR

Vibrations