Geometry & MOs

Info

ID:	234794
PubChem CID:	92303504
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	417.05031
ΔH_f, kcal/mol:	-72.73
Dipole, Da:	6.53
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-ethylhexanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations