Geometry & MOs

Info

ID:	121962
PubChem CID:	50788120
Reduced:	BrON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	467.142739
ΔH_f, kcal/mol:	66.7
Dipole, Da:	3.88
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC3=C2N=CC=C3)CCNC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations