Geometry & MOs

Info

ID:	195205
PubChem CID:	78655347
Reduced:	ClFOSN4C15H16 (1)
Stoich.:	ABCDE4F15G16 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-14.89
Dipole, Da:	5.07
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)Cl)F)SC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations