Geometry & MOs

Info

ID:	265004
PubChem CID:	103507001
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-81.34
Dipole, Da:	8.87
IP(EA), eV:	-8.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1N)C#N)NCCCC(C)C

DOS

IR

Vibrations