Geometry & MOs

Info

ID:	62051
PubChem CID:	26717276
Reduced:	ClO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C[C@H](C3=CC=C(C=C3)Cl)NC(=O)N

DOS

IR

Vibrations