Geometry & MOs

Info

ID:	225088
PubChem CID:	85741512
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	282.04967
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	5.2
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-isothiocyanato-2-oxoethyl)-2,2-dimethylcyclobutyl]acetyl isothiocyanate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C(COC2=CC=CC=C21)C=C

DOS

IR

Vibrations