Geometry & MOs

Info

ID:	208864
PubChem CID:	80596278
Reduced:	SO3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	5.98
IP(EA), eV:	-8.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(thiolan-3-yl)cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCSC(C1)C(=O)C2=C3C(=CC=C2)OCCO3

DOS

IR

Vibrations