Geometry & MOs

Info

ID:	237540
PubChem CID:	92719571
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	4.3
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-[(2R)-4-phenylbutan-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC2=CC3=C(C=C2)N=C(S3)NC(=O)C

DOS

IR

Vibrations