Geometry & MOs

Info

ID:	264068
PubChem CID:	103424397
Reduced:	OSN3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	290.075885
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	7.99
IP(EA), eV:	-7.96(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(ethylamino)-4-ethylsulfonylthiophen-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C=C(S1)NCCN(C)C)N

DOS

IR

Vibrations