Geometry & MOs

Info

ID:	140255
PubChem CID:	52670368
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	421.140449
ΔH_f, kcal/mol:	-165.61
Dipole, Da:	0.65
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]-3,4,5-trimethoxybenzamide

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)N[C@H]2CCSC3=C2C=CC=C3F

DOS

IR

Vibrations