Geometry & MOs

Info

ID:	404270
PubChem CID:	135065637
Reduced:	ClN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	469.171165
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	3.65
IP(EA), eV:	-8.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(1S,2S)-3-oxo-1,2,4-triphenylbutyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)[C@@H]([C@@]1(C2=C(C=CC(=C2)Cl)N(C1=O)CC3=CC=CC=C3)NC4=CC=C(C=C4)OC)O

DOS

IR

Vibrations