Geometry & MOs

Info

ID:	229562
PubChem CID:	87568026
Reduced:	NSO4C11H22 (1)
Stoich.:	ABC4D11E22 (1)
Weight, g/mol:	484.04489
ΔH_f, kcal/mol:	-164.77
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770143
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dichlorophenyl)-4-methyl-5-(3-pent-4-enylthiophen-2-yl)pyrazol-3-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCC(C(C)C(=O)C(=C)C)[N+](C)(C)S(=O)(=O)O

DOS

IR

Vibrations