Geometry & MOs

Info

ID:	398402
PubChem CID:	135033132
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	2.81
IP(EA), eV:	-9.43(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-[(3S)-3-hydroxy-7-phenylmethoxyhept-4-ynylidene]oxan-3-ol

Drug info:

PubChemData

Smile

C1C[C@H]2C(CC[C@H](O2)C#CCCOCC3=CC=CC=C3)(OC1)O

DOS

IR

Vibrations