Geometry & MOs

Info

ID:	134549
PubChem CID:	51713005
Reduced:	SO2N6C24H30 (1)
Stoich.:	AB2C6D24E30 (1)
Weight, g/mol:	429.043771
ΔH_f, kcal/mol:	12.12
Dipole, Da:	3.26
IP(EA), eV:	-7.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxo-1,2-diphenylethyl] 2-chloro-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3CCOC)C4=CC=NC=C4

DOS

IR

Vibrations