Geometry & MOs

Info

ID:	449182
PubChem CID:	135296623
Reduced:	ClN2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	412.118985
ΔH_f, kcal/mol:	-80.04
Dipole, Da:	6.17
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(2-chloroacetyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)NC(=O)/C=C/C3COC4=C(O3)C=CC(=C4)N(CC5=CC=CC=C5)C(=O)CCl

DOS

IR

Vibrations