Geometry & MOs

Info

ID:	349072
PubChem CID:	127274798
Reduced:	NSO2C8H14 (2)
Stoich.:	ABC2D8E14 (2)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-187.65
Dipole, Da:	6.54
IP(EA), eV:	-8.76(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyclopropylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations