Geometry & MOs

Info

ID:	64273
PubChem CID:	29198814
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-108.77
Dipole, Da:	5.74
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(1,3-benzodioxol-5-yl)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations