Geometry & MOs

Info

ID:	37796
PubChem CID:	8024550
Reduced:	SO3N4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	404.170454
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	4.59
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C(O3)C4CCCCC4

DOS

IR

Vibrations