Geometry & MOs

Info

ID:	151779
PubChem CID:	56310580
Reduced:	ClON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	498.152575
ΔH_f, kcal/mol:	21.51
Dipole, Da:	2.64
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCCC(C3)C(=O)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations