Geometry & MOs

Info

ID:	165867
PubChem CID:	74606883
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	375.060839
ΔH_f, kcal/mol:	-16.17
Dipole, Da:	6.21
IP(EA), eV:	-9.13(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1NC(=O)C2=CC3=NC(=S)N(C(=O)C3C=C2)CC=C

DOS

IR

Vibrations