Geometry & MOs

Info

ID:	195490
PubChem CID:	78694315
Reduced:	FSN2O4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	366.137971
ΔH_f, kcal/mol:	-106.48
Dipole, Da:	4.78
IP(EA), eV:	-8.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=S)N2)C3=CC=CC=C3F

DOS

IR

Vibrations