Geometry & MOs

Info

ID:	147043
PubChem CID:	53786517
Reduced:	NS2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	276.120903
ΔH_f, kcal/mol:	40.82
Dipole, Da:	3.35
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,6-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)SCC=C)C

DOS

IR

Vibrations