Geometry & MOs

Info

ID:	245274
PubChem CID:	99443241
Reduced:	N2F3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	407.12161
ΔH_f, kcal/mol:	-314.57
Dipole, Da:	4.38
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC=C(C=C1)OC)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations