Geometry & MOs

Info

ID:	395982
PubChem CID:	135027119
Reduced:	N5O6C15H21 (1)
Stoich.:	A5B6C15D21 (1)
Weight, g/mol:	386.139924
ΔH_f, kcal/mol:	-209.39
Dipole, Da:	9.3
IP(EA), eV:	-9.16(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4aR,7R,8R,8aR)-5-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-7-phenylsulfanyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-ol

Drug info:

PubChemData

Smile

CC1[C@H](OC([C@H](C1O)O)CN2C=NC3=C2NC(=NC3=O)NC(=O)C)OC

DOS

IR

Vibrations