Geometry & MOs

Info

ID:	64888
PubChem CID:	29204153
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	2.39
IP(EA), eV:	-9.17(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)[C@@H](CCS(=O)(=O)C)N2C(=O)C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations