Geometry & MOs

Info

ID:	320647
PubChem CID:	126662339
Reduced:	BrSN3O6C18H22 (1)
Stoich.:	ABC3D6E18F22 (1)
Weight, g/mol:	523.103178
ΔH_f, kcal/mol:	-192.69
Dipole, Da:	9.37
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinolin-3-yl]methanol

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)OCC)S(=O)(=O)N2C[C@@H](OC3=C2C=C(C=C3)Br)CCC(=O)O

DOS

IR

Vibrations