Geometry & MOs

Info

ID:	237242
PubChem CID:	92717992
Reduced:	OS2N4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	492.031348
ΔH_f, kcal/mol:	68.66
Dipole, Da:	7.77
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)SC3=NN=C4N3C5=CC=CC=C5S4

DOS

IR

Vibrations