Geometry & MOs

Info

ID:	358627
PubChem CID:	127296406
Reduced:	NSO2C16H21 (1)
Stoich.:	ABC2D16E21 (1)
Weight, g/mol:	290.075885
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	4.62
IP(EA), eV:	-8.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-oxo-1,4-thiazinane-4-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1(CCCC2=CC=CC=C21)C(=O)N3CCS(=O)CC3

DOS

IR

Vibrations