Geometry & MOs

Info

ID:	141402
PubChem CID:	52874129
Reduced:	SO3N4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	3.72
IP(EA), eV:	-9.21(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCCC[C@@H]3C4OCCO4

DOS

IR

Vibrations