Geometry & MOs

Info

ID:	155915
PubChem CID:	56368280
Reduced:	S2N3O3C25H27 (1)
Stoich.:	A2B3C3D25E27 (1)
Weight, g/mol:	428.20597
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	8.37
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[2-oxo-2-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC=C(C=C3)SC4=CC=CC=N4

DOS

IR

Vibrations