Geometry & MOs

Info

ID:	78473
PubChem CID:	49689860
Reduced:	BrSO2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	423.076803
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	7.65
IP(EA), eV:	-9.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations