Geometry & MOs

Info

ID:	244164
PubChem CID:	99319143
Reduced:	N3O3F4H17C21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	423.142819
ΔH_f, kcal/mol:	-240.68
Dipole, Da:	2.64
IP(EA), eV:	-9.35(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)C2=CN=C(O2)CCC(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations