Geometry & MOs

Info

ID:	386038
PubChem CID:	134980594
Reduced:	C13H14 (1)
Stoich.:	A13B14 (1)
Weight, g/mol:	348.13953
ΔH_f, kcal/mol:	48.12
Dipole, Da:	0.53
IP(EA), eV:	-9.28(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3aS,6aR)-3-(phenylsulfanylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

C1[C@H]2C3C2(CC1C3)C4=CC=CC=C4

DOS

IR

Vibrations