Geometry & MOs

Info

ID:	64470
PubChem CID:	29200962
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	366.176585
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	4.63
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-(2-phenylethyl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)NCCC2=CC=CC=C2

DOS

IR

Vibrations