Geometry & MOs

Info

ID:	370511
PubChem CID:	127339452
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-122.29
Dipole, Da:	1.5
IP(EA), eV:	-8.95(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC(=CC=C2)NC(=O)C3CCC(=O)N3

DOS

IR

Vibrations