Geometry & MOs

Info

ID:	194471
PubChem CID:	78541413
Reduced:	NSO6C9H17 (1)
Stoich.:	ABC6D9E17 (1)
Weight, g/mol:	374.091414
ΔH_f, kcal/mol:	-267.1
Dipole, Da:	9.94
IP(EA), eV:	-9.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C([NH2+]C(S1)CC(C(C(CO)O)O)O)C(=O)[O-]

DOS

IR

Vibrations