Geometry & MOs

Info

ID:	237538
PubChem CID:	92719563
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	381.151098
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	0.99
IP(EA), eV:	-8.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(2R)-2-phenylpropyl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C

DOS

IR

Vibrations