Geometry & MOs

Info

ID:	33235
PubChem CID:	7885565
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	416.17475
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	4.2
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)C

DOS

IR

Vibrations