Geometry & MOs

Info

ID:	244157
PubChem CID:	99319125
Reduced:	SF2O3N4H18C22 (1)
Stoich.:	AB2C3D4E18F22 (1)
Weight, g/mol:	399.139448
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	5.2
IP(EA), eV:	-9.37(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-6-methoxy-2-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)NCCNC(=O)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations