Geometry & MOs

Info

ID:	155648
PubChem CID:	56366584
Reduced:	BrN3O3H18C23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	10.16
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42

DOS

IR

Vibrations