Geometry & MOs

Info

ID:	62188
PubChem CID:	26717909
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	498.02489
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	6.02
IP(EA), eV:	-8.9(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-bromobenzoyl)amino]phenyl] 2-(4-acetamidophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations