Geometry & MOs

Info

ID:	153207
PubChem CID:	56312367
Reduced:	FON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	425.157326
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.39
IP(EA), eV:	-8.84(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations