Geometry & MOs

Info

ID:	350415
PubChem CID:	127277777
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	4.33
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methyl-1,4-oxazepane-4-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations