Geometry & MOs

Info

ID:	391016
PubChem CID:	135002241
Reduced:	BrSN2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	58.8
Dipole, Da:	6.16
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl] benzoate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)[C@@H](NC(=S)N2CC3=CC=CC=C3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations