Geometry & MOs

Info

ID:	265722
PubChem CID:	103542364
Reduced:	S2N4O4C11H20 (1)
Stoich.:	A2B4C4D11E20 (1)
Weight, g/mol:	314.11227
ΔH_f, kcal/mol:	-126.48
Dipole, Da:	7.0
IP(EA), eV:	-8.7(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C(SN=C1N)N2CC(C(C2)OC)OC

DOS

IR

Vibrations