Geometry & MOs

Info

ID:	161684
PubChem CID:	57392321
Reduced:	FSO2N4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	360.051299
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	4.25
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]anilino]-2-oxoethyl] nitrate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)NC4=CC=C(C=C4)F

DOS

IR

Vibrations