Geometry & MOs

Info

ID:	64801
PubChem CID:	29204020
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-189.91
Dipole, Da:	2.72
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N[C@H](CCS(=O)(=O)C)C(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations