Geometry & MOs

Info

ID:	229318
PubChem CID:	87567403
Reduced:	HSC2O3F4 (2)
Stoich.:	ABC2D3E4 (2)
Weight, g/mol:	515.156489
ΔH_f, kcal/mol:	-631.47
Dipole, Da:	2.21
IP(EA), eV:	-12.4(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2,4-dichlorophenyl)-4-methyl-5-[5-[(Z)-pent-1-enyl]thiophen-2-yl]pyrazol-3-yl]methyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C(C(C(F)(F)F)(F)S(=O)(=O)O)(C(F)(F)S(=O)(=O)O)(F)F

DOS

IR

Vibrations