Geometry & MOs

Info

ID:	177219
PubChem CID:	76147611
Reduced:	BrSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	344.06532
ΔH_f, kcal/mol:	-32.15
Dipole, Da:	4.88
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CNC(=O)C2=CC(=CN=C2)Br)O

DOS

IR

Vibrations