Geometry & MOs

Info

ID:	327875
PubChem CID:	126691195
Reduced:	S3C15O16H22 (1)
Stoich.:	A3B15C16D22 (1)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	-640.7
Dipole, Da:	5.34
IP(EA), eV:	-8.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-ylmethyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)OC[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)OCCCCOS(=O)(=O)O

DOS

IR

Vibrations