Geometry & MOs

Info

ID:	192104
PubChem CID:	78228778
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	365.137556
ΔH_f, kcal/mol:	42.32
Dipole, Da:	3.04
IP(EA), eV:	-9.16(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[(2-oxo-3H-quinolin-3-yl)methyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C(=C)N=N2

DOS

IR

Vibrations