Geometry & MOs

Info

ID:	79211
PubChem CID:	49747430
Reduced:	N2S2O4C25H26 (1)
Stoich.:	A2B2C4D25E26 (1)
Weight, g/mol:	410.079256
ΔH_f, kcal/mol:	-88.46
Dipole, Da:	3.14
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-thiophen-3-yl-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CCNC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations