Geometry & MOs

Info

ID:	264089
PubChem CID:	103427400
Reduced:	SO2N3C15H25 (1)
Stoich.:	AB2C3D15E25 (1)
Weight, g/mol:	298.117356
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	4.46
IP(EA), eV:	-8.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophen-2-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(SC(=C1N)C(=O)C)NC2CCN(CC2)C

DOS

IR

Vibrations