Geometry & MOs

Info

ID:	68852
PubChem CID:	46509447
Reduced:	SO3N5C25H25 (1)
Stoich.:	AB3C5D25E25 (1)
Weight, g/mol:	365.089721
ΔH_f, kcal/mol:	21.45
Dipole, Da:	5.36
IP(EA), eV:	-8.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl] 4-(difluoromethylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations