Geometry & MOs

Info

ID:	408091
PubChem CID:	135080846
Reduced:	N6C66H103 (2)
Stoich.:	A6B66C103 (2)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	120.61
Dipole, Da:	9.68
IP(EA), eV:	-7.99(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(furan-2-yl)oxolan-2-ol

Drug info:

Smile

CCCCCCCCCCCCC1=CC(=C(C2=C1C3=NC4=C5C(=C(C=C(C5=C(N4)N=C6C7=C(C(=CC(=C7CCCCCCCCCCCC)C#N)CCCCCCCCCCCC)C(=N6)N=C8C9=C(C(=CC(=C9CCCCCCCCCCCC)C#N)CCCCCCCCCCCC)C(=N8)N=C2N3)CCCCCCCCCCCC)C#N)CCCCCCCCCCCC)CCCCCCCCCCCC)C#N

DOS

IR

Vibrations