Geometry & MOs

Info

ID:	194410
PubChem CID:	78531347
Reduced:	OS2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	394.996343
ΔH_f, kcal/mol:	92.43
Dipole, Da:	3.2
IP(EA), eV:	-8.77(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)methyl 3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C(N(C2=CC=CC=C2S1)C(=O)CSC3=NN=CN3N)C4=CC=CC=C4

DOS

IR

Vibrations