Geometry & MOs

Info

ID:	59987
PubChem CID:	26527436
Reduced:	FSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	1.59
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NC[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations