Geometry & MOs

Info

ID:	234989
PubChem CID:	92303839
Reduced:	ON2F3C23H25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	379.138819
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	4.31
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-ethyl-N-[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C[C@@H](C1=CC(=CC=C1)C(F)(F)F)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations