Geometry & MOs

Info

ID:	149103
PubChem CID:	53788775
Reduced:	PSN2O3C16H19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	419.080347
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	2.88
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[2-(2,4-dichloro-N-methylanilino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCON=C(C1=CC=CC=N1)OP(=S)(C2=CC=CC=C2)OCC

DOS

IR

Vibrations