Geometry & MOs

Info

ID:	449181
PubChem CID:	135296608
Reduced:	FINO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	502.165935
ΔH_f, kcal/mol:	-105.52
Dipole, Da:	3.79
IP(EA), eV:	-9.01(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNI)OC1=CC(=C(C=C1)F)CCC(=O)C

DOS

IR

Vibrations