Geometry & MOs

Info

ID:	155709
PubChem CID:	56367098
Reduced:	BrN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	434.97108
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)NC2=C(C=CC(=C2)Br)NC(=O)C)C

DOS

IR

Vibrations