Geometry & MOs

Info

ID:	350402
PubChem CID:	127277764
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.29
IP(EA), eV:	-9.34(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC=NN2CC3CCOC3

DOS

IR

Vibrations