Geometry & MOs

Info

ID:	235057
PubChem CID:	92303959
Reduced:	FSN2O2C22H25 (1)
Stoich.:	ABC2D2E22F25 (1)
Weight, g/mol:	377.159555
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	6.45
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-[(3,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1=CC=CC(=C1)[C@H]2N(C(=O)CS2)C3=CC(=C(C=C3)C)F

DOS

IR

Vibrations