Geometry & MOs

Info

ID:	59993
PubChem CID:	26527447
Reduced:	FSN3O4C24H24 (1)
Stoich.:	ABC3D4E24F24 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-150.73
Dipole, Da:	2.39
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)CNC3=CC=C(C=C3)C(=O)N(C)C

DOS

IR

Vibrations