Geometry & MOs

Info

ID:	122684
PubChem CID:	50817236
Reduced:	SO2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	416.077696
ΔH_f, kcal/mol:	-4.91
Dipole, Da:	3.56
IP(EA), eV:	-8.86(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-5-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NN=C(S3)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations