Geometry & MOs

Info

ID:	244182
PubChem CID:	99319262
Reduced:	SF2N2O2C18H18 (1)
Stoich.:	AB2C2D2E18F18 (1)
Weight, g/mol:	363.103062
ΔH_f, kcal/mol:	-135.27
Dipole, Da:	1.22
IP(EA), eV:	-8.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[2-[[2-(4-nitrophenyl)acetyl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations