Geometry & MOs

Info

ID:	207801
PubChem CID:	80450427
Reduced:	NSF2O2C13H19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	245.10204
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	5.64
IP(EA), eV:	-9.01(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methylpentan-2-amine

Drug info:

PubChemData

Smile

CCNC(CS(=O)(=O)C1=C(C=CC(=C1)F)F)C(C)C

DOS

IR

Vibrations