Geometry & MOs

Info

ID:	244676
PubChem CID:	99376364
Reduced:	SN3O3H17C19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	435.131837
ΔH_f, kcal/mol:	-17.13
Dipole, Da:	2.68
IP(EA), eV:	-8.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)SC3=CC=CC=C3)NC(=O)CN4C=CC=N4

DOS

IR

Vibrations