Geometry & MOs

Info

ID:	442026
PubChem CID:	135248084
Reduced:	FOSN5C27H32 (1)
Stoich.:	ABCD5E27F32 (1)
Weight, g/mol:	505.214761
ΔH_f, kcal/mol:	5.68
Dipole, Da:	4.71
IP(EA), eV:	-8.35(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyanophenyl)methyl]-5-(4-formylpiperidine-1-carbonyl)-N-methyl-3-(piperidin-1-ylmethylideneamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN(C)C(=O)C2=C(C=C(S2)C(=C)N3CC(C3)(C)F)N=CN4CCCCC4)C#N

DOS

IR

Vibrations