Geometry & MOs

Info

ID:	265506
PubChem CID:	103526399
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-53.33
Dipole, Da:	5.05
IP(EA), eV:	-8.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-4-cyclopropyl-5-[(3-methylpyridin-2-yl)methylamino]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(S1)NCC2=C(C=CC=N2)C)N

DOS

IR

Vibrations