Geometry & MOs

Info

ID:	192558
PubChem CID:	78286332
Reduced:	SO4N5C20H27 (1)
Stoich.:	AB4C5D20E27 (1)
Weight, g/mol:	352.04226
ΔH_f, kcal/mol:	-128.33
Dipole, Da:	2.89
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CCC)N)C(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations