Geometry & MOs

Info

ID:	413553
PubChem CID:	135086502
Reduced:	Cl2S2N4C5H14 (1)
Stoich.:	A2B2C4D5E14 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	5.18
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbonitrile

Drug info:

PubChemData

Smile

C(CSC(=[NH2+])N)CSC(=[NH2+])N.[Cl-].[Cl-]

DOS

IR

Vibrations