Geometry & MOs

Info

ID:	418141
PubChem CID:	135103653
Reduced:	SN5O6C33H45 (1)
Stoich.:	AB5C6D33E45 (1)
Weight, g/mol:	354.098249
ΔH_f, kcal/mol:	-243.96
Dipole, Da:	2.91
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)CSC3=CC=CC(=C3)OC

DOS

IR

Vibrations