Geometry & MOs

Info

ID:	244186
PubChem CID:	99319278
Reduced:	F2O2N6C19H20 (1)
Stoich.:	A2B2C6D19E20 (1)
Weight, g/mol:	404.080633
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	5.42
IP(EA), eV:	-9.84(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations