Geometry & MOs

Info

ID:	379511
PubChem CID:	134437966
Reduced:	O2N7C19H21 (1)
Stoich.:	A2B7C19D21 (1)
Weight, g/mol:	583.137769
ΔH_f, kcal/mol:	24.88
Dipole, Da:	3.82
IP(EA), eV:	-9.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-[(1S,2S)-2-(dimethylamino)cyclohexyl]oxy-4-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=N2)/C=C/C(=O)N3CC4CN(CC4C3)N5C=NC=N5

DOS

IR

Vibrations