Geometry & MOs

Info

ID:	170198
PubChem CID:	75206085
Reduced:	FNSO2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	3.32
IP(EA), eV:	-8.81(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(2-nitroanilino)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCC=C)F

DOS

IR

Vibrations