Geometry & MOs

Info

ID:	356286
PubChem CID:	127291359
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	8.79
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-(1,4-oxazepane-4-carbonyl)-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NC3=CC4=C(C=C3)NC=NC4=O

DOS

IR

Vibrations