Geometry & MOs

Info

ID:	243324
PubChem CID:	99218328
Reduced:	N2O7C20H24 (1)
Stoich.:	A2B7C20D24 (1)
Weight, g/mol:	483.182792
ΔH_f, kcal/mol:	-244.81
Dipole, Da:	5.17
IP(EA), eV:	-8.92(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3R)-1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CN(CC(=O)OC)C(=O)CCNC(=O)C2=COC=C2)OC

DOS

IR

Vibrations