Geometry & MOs

Info

ID:	153752
PubChem CID:	56313063
Reduced:	ClFSO2N3H21C23 (1)
Stoich.:	ABCD2E3F21G23 (1)
Weight, g/mol:	456.196154
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	3.57
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations