Geometry & MOs

Info

ID:	155833
PubChem CID:	56367737
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	429.01466
ΔH_f, kcal/mol:	-122.96
Dipole, Da:	5.02
IP(EA), eV:	-9.56(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-benzyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations