Geometry & MOs

Info

ID:	382242
PubChem CID:	134973260
Reduced:	O5C11H14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	482.097884
ΔH_f, kcal/mol:	-195.63
Dipole, Da:	1.9
IP(EA), eV:	-9.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-1,3-bis[(5-thiophen-2-ylthiophen-2-yl)methyl]-3a,4,5,6,7,7a-hexahydro-2H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)[C@H]2C(C(CO2)O)O)C(=O)C

DOS

IR

Vibrations