Geometry & MOs

Info

ID:	158865
PubChem CID:	57244112
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	324.168522
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	0.95
IP(EA), eV:	-8.34(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptan-4-yl 2-[(3-methoxypyridin-2-yl)oxycarbonylamino]acetate

Drug info:

PubChemData

Smile

CN1CC(C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)SC)COC(=O)N5CCOCC5

DOS

IR

Vibrations