Geometry & MOs

Info

ID:	237537
PubChem CID:	92719554
Reduced:	SN3O4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	3.57
IP(EA), eV:	-8.55(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CCC(=O)NCCOC4=CC=CC=C4OC

DOS

IR

Vibrations