Geometry & MOs

Info

ID:	69096
PubChem CID:	46518295
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	402.115047
ΔH_f, kcal/mol:	-112.17
Dipole, Da:	7.98
IP(EA), eV:	-8.31(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoylamino)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CNC3=O

DOS

IR

Vibrations