Geometry & MOs

Info

ID:	350473
PubChem CID:	127277835
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	288.09662
ΔH_f, kcal/mol:	-84.53
Dipole, Da:	2.91
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=CC=C(C=C2)CN3CCC(CC3)C

DOS

IR

Vibrations