Geometry & MOs

Info

ID:	244615
PubChem CID:	99368258
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-137.0
Dipole, Da:	3.85
IP(EA), eV:	-8.59(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-3-methyl-1-oxo-1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CCC(=O)NCCC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations