Geometry & MOs

Info

ID:	68886
PubChem CID:	46511221
Reduced:	BrSN3O4C16H24 (1)
Stoich.:	ABC3D4E16F24 (1)
Weight, g/mol:	294.059362
ΔH_f, kcal/mol:	-155.89
Dipole, Da:	5.59
IP(EA), eV:	-9.03(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)N(C)CC(=O)NC2=C(C=C(C=C2)Br)C

DOS

IR

Vibrations