Geometry & MOs

Info

ID:	133911
PubChem CID:	51612896
Reduced:	ClN2O2C20H23 (1)
Stoich.:	AB2C2D20E23 (1)
Weight, g/mol:	460.166808
ΔH_f, kcal/mol:	-28.89
Dipole, Da:	1.87
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[(4-methoxyphenyl)sulfamoyl]benzoate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NOC(=C2)C(=O)N3CCC[C@H]3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations