Geometry & MOs

Info

ID:	312912
PubChem CID:	126609859
Reduced:	NSF2O3H19C25 (1)
Stoich.:	ABC2D3E19F25 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	4.83
IP(EA), eV:	-8.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methyloxan-3-yl)methyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC2=C(C=CC=C2S1)NC(=O)C3=C(C=CC(=C3)C4=CC(=CC=C4)F)F

DOS

IR

Vibrations