Geometry & MOs

Info

ID:	81479
PubChem CID:	49854772
Reduced:	ClSN5O6C21H24 (1)
Stoich.:	ABC5D6E21F24 (1)
Weight, g/mol:	528.204256
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	9.2
IP(EA), eV:	-7.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-phenylpropan-2-yl) 2-[(4R,6S)-2,2-dimethyl-6-[(1-phenyltetrazol-5-yl)sulfonylmethyl]-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=CC(=C(C=C3OC)OC)OC)NS(=O)(=O)C

DOS

IR

Vibrations