Geometry & MOs

Info

ID:	78454
PubChem CID:	49689774
Reduced:	SF2O2N4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	2.53
IP(EA), eV:	-9.91(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-propylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations