Geometry & MOs

Info

ID:	48598
PubChem CID:	11109871
Reduced:	SN6H8C16 (1)
Stoich.:	AB6C8D16 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	179.5
Dipole, Da:	5.79
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-methyl-3,4-bis(phenylmethoxy)butane-1,2-diol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=C(C=C3C#N)C#N)N

DOS

IR

Vibrations