Geometry & MOs

Info

ID:	69319
PubChem CID:	46530675
Reduced:	ClSN2O3H23C26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	412.153541
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	6.88
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=C(C=C4)Cl

DOS

IR

Vibrations