Geometry & MOs

Info

ID:	237405
PubChem CID:	92719058
Reduced:	OSF3N3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	412.10614
ΔH_f, kcal/mol:	-138.59
Dipole, Da:	3.21
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-adamantylcarbamoyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC(=O)N3C(=CSC3=N2)C4=CC=CC=C4)C(F)(F)F

DOS

IR

Vibrations