Geometry & MOs

Info

ID:	387389
PubChem CID:	134985203
Reduced:	ClSO2N4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	447.110021
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	2.2
IP(EA), eV:	-9.81(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,6S,7S,8S,8aR)-6-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCC(CN=[N+]=[N-])NS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations