Geometry & MOs

Info

ID:	36414
PubChem CID:	8006208
Reduced:	ClOS2N4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	410.097014
ΔH_f, kcal/mol:	28.72
Dipole, Da:	2.08
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CN3CCN(CC3)CC4=CC=C(S4)Cl

DOS

IR

Vibrations