Geometry & MOs

Info

ID:	178074
PubChem CID:	76272889
Reduced:	FSN3O4H24C25 (1)
Stoich.:	ABC3D4E24F25 (1)
Weight, g/mol:	407.092892
ΔH_f, kcal/mol:	-123.17
Dipole, Da:	9.7
IP(EA), eV:	-8.98(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-difluoroanilino)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations