Geometry & MOs

Info

ID:	62189
PubChem CID:	26717911
Reduced:	BrSN2O4H19C23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	454.075406
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	6.65
IP(EA), eV:	-8.49(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)SCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations