Geometry & MOs

Info

ID:	237197
PubChem CID:	92717856
Reduced:	ClN2O6H25C26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	486.101621
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	2.57
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(S)-(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations