Geometry & MOs

Info

ID:	129744
PubChem CID:	51073707
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	334.116486
ΔH_f, kcal/mol:	-94.54
Dipole, Da:	11.02
IP(EA), eV:	-9.19(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)/C=C/C(=O)N(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations