Geometry & MOs

Info

ID:	366470
PubChem CID:	127319959
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	329.177313
ΔH_f, kcal/mol:	-152.39
Dipole, Da:	5.61
IP(EA), eV:	-8.26(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NCC(C)(C)N3CCS(=O)CC3)C

DOS

IR

Vibrations