Geometry & MOs

Info

ID:	48509
PubChem CID:	10852039
Reduced:	SN4O5C10H16 (1)
Stoich.:	AB4C5D10E16 (1)
Weight, g/mol:	304.131074
ΔH_f, kcal/mol:	-190.59
Dipole, Da:	8.16
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,8R,9S)-4,4-dimethyl-1-phenylmethoxy-3,5,7-trioxatricyclo[6.3.0.02,6]undec-10-en-9-ol

Drug info:

PubChemData

Smile

CSC1=NC(=O)C(=C(N1)N)N[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O

DOS

IR

Vibrations