Geometry & MOs

Info

ID:	263928
PubChem CID:	103407931
Reduced:	ClSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	361.98552
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	2.63
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(CC2CCOCC2)O

DOS

IR

Vibrations