Geometry & MOs

Info

ID:	237539
PubChem CID:	92719569
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	0.87
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations