Geometry & MOs

Info

ID:	188597
PubChem CID:	77740040
Reduced:	OSN2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	655.179537
ΔH_f, kcal/mol:	43.43
Dipole, Da:	9.52
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[4-[2-[benzyl-[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethoxy]phenyl]sulfonylphenyl]benzoate

Drug info:

PubChemData

Smile

CC(C1=CSC2=CC=CC=C21)NC3CCC(=C4C=CC(=O)N=C4)C3

DOS

IR

Vibrations