Geometry & MOs

Info

ID:	55952
PubChem CID:	17397717
Reduced:	S2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	7.37
IP(EA), eV:	-9.05(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N3CCC4=C(C3C5=CC=CS5)C=CS4)NC(=O)C1=O

DOS

IR

Vibrations