Geometry & MOs

Info

ID:	131681
PubChem CID:	51243466
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-103.65
Dipole, Da:	4.75
IP(EA), eV:	-9.17(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)N)CC(=O)NC1=CC=CC=C1C(=O)NC(C)C2=CC=CC=C2

DOS

IR

Vibrations