Geometry & MOs

Info

ID:	194556
PubChem CID:	78555412
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	26.57
Dipole, Da:	6.39
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-anilinobenzoate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations