Geometry & MOs

Info

ID:	155754
PubChem CID:	56367352
Reduced:	BrSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	434.97108
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	0.99
IP(EA), eV:	-8.93(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)NC3=C(C=CC(=C3)Br)NC(=O)C)C

DOS

IR

Vibrations