Geometry & MOs

Info

ID:	155881
PubChem CID:	56368089
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	2.28
IP(EA), eV:	-8.54(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-(1-pyridin-2-ylethylamino)benzamide

Drug info:

PubChemData

Smile

CCCOCC(=O)NC1=CC2=C(C=C1SC3=CC=CC=C3)OCCO2

DOS

IR

Vibrations