Geometry & MOs

Info

ID:	178216
PubChem CID:	76297612
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	489.156971
ΔH_f, kcal/mol:	-106.71
Dipole, Da:	9.21
IP(EA), eV:	-8.8(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CC(=CC=C1)CN2CCOC(C2)C)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations