Geometry & MOs

Info

ID:	132028
PubChem CID:	51294750
Reduced:	FSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	357.132471
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	2.94
IP(EA), eV:	-9.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)CC(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

DOS

IR

Vibrations