Geometry & MOs

Info

ID:	237014
PubChem CID:	92716889
Reduced:	ClNO5H20C26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	494.164221
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	6.53
IP(EA), eV:	-9.48(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl

DOS

IR

Vibrations