Geometry & MOs

Info

ID:	312568
PubChem CID:	126606537
Reduced:	NOSC10H11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	370.156243
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	4.9
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,7R,7aR)-2-(dimethylamino)-5-[(3-methoxycyclohexa-1,3-dien-1-yl)methoxymethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

Drug info:

PubChemData

Smile

CC1=CC2=C(CC=C1)SNC(=O)C2

DOS

IR

Vibrations