Geometry & MOs

Info

ID:	169690
PubChem CID:	75136567
Reduced:	SO3N4H12C15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	490.150861
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	1.95
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(C=N2)C(=O)NCC(=O)NC3=NC=CS3

DOS

IR

Vibrations