Geometry & MOs

Info

ID:	229106
PubChem CID:	87566960
Reduced:	FSO3N4C25H31 (1)
Stoich.:	ABC3D4E25F31 (1)
Weight, g/mol:	514.203862
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	3.77
IP(EA), eV:	-8.74(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(cyclohexylmethylamino)-3,4-dioxocyclobuten-1-yl]-4-methylphenyl]-3-(pyridin-4-ylmethylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C=C(N=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations