Geometry & MOs

Info

ID:	155844
PubChem CID:	56367793
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	5.92
IP(EA), eV:	-9.49(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-oxocinnolin-1-yl)propanoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)C(=O)NCC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations