Geometry & MOs

Info

ID:	381677
PubChem CID:	134972476
Reduced:	OS2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	273.133813
ΔH_f, kcal/mol:	58.01
Dipole, Da:	5.18
IP(EA), eV:	-8.27(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3aR,5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-methanidyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CNC1=CC=CC=C1SCC(=O)/C(=C/2\N(C3=CC=CC=C3S2)C)/C#N

DOS

IR

Vibrations