Geometry & MOs

Info

ID:	161445
PubChem CID:	57391699
Reduced:	SO4N9C30H43 (1)
Stoich.:	AB4C9D30E43 (1)
Weight, g/mol:	397.079346
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	4.83
IP(EA), eV:	-7.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-N-pyridin-3-ylanilino)methyl]-7,8-difluoro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)N2C(=NC(=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC)N

DOS

IR

Vibrations