Geometry & MOs

Info

ID:	73469
PubChem CID:	48417820
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	7.73
Dipole, Da:	2.31
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-2-methyl-5-nitropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations