Geometry & MOs

Info

ID:	259555
PubChem CID:	103167993
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	312.175916
ΔH_f, kcal/mol:	-82.12
Dipole, Da:	3.86
IP(EA), eV:	-9.28(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanone

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)CC2=NC(=CS2)C(C)(C)C

DOS

IR

Vibrations