Geometry & MOs

Info

ID:	171622
PubChem CID:	75407469
Reduced:	SN2O3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	314.99286
ΔH_f, kcal/mol:	-145.98
Dipole, Da:	2.71
IP(EA), eV:	-9.03(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-3-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)NC1CCC(CC1)OC(=O)C(C)(C)C2=CC=CS2

DOS

IR

Vibrations