Geometry & MOs

Info

ID:	33754
PubChem CID:	7887948
Reduced:	OS2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	386.1278
ΔH_f, kcal/mol:	73.26
Dipole, Da:	4.3
IP(EA), eV:	-8.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)N(C)CCC#N

DOS

IR

Vibrations