Geometry & MOs

Info

ID:	155687
PubChem CID:	56366900
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	408.146741
ΔH_f, kcal/mol:	-48.54
Dipole, Da:	6.12
IP(EA), eV:	-9.0(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(butanoylamino)piperidin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=NN(C3=C2CCC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations