Geometry & MOs

Info

ID:	140101
PubChem CID:	52647249
Reduced:	SO2N5C24H33 (1)
Stoich.:	AB2C5D24E33 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	-48.14
Dipole, Da:	4.03
IP(EA), eV:	-8.31(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)NC(=O)N

DOS

IR

Vibrations