Geometry & MOs

Info

ID:	157447
PubChem CID:	56427219
Reduced:	SN3O5C17H25 (1)
Stoich.:	AB3C5D17E25 (1)
Weight, g/mol:	431.216869
ΔH_f, kcal/mol:	-170.08
Dipole, Da:	5.12
IP(EA), eV:	-9.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[4-(4-acetylpiperazin-1-yl)-3-nitrobenzoyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCCC(C2)CCC(=O)N

DOS

IR

Vibrations